7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C269H306Cl2F18N48O16 — CID 160972213

IUPAC7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(C)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(C)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(F)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1C.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1C
InChIInChI=1S/C35H40F2N6O2.C35H41FN6O2.C34H37ClF2N6O2.C34H38ClFN6O2.C34H37F3N6O2.C34H40N6O2.C32H38F4N6O2.C31H35F5N6O2/c1-21-17-42(18-22(2)43(21)35(44)24(4)36)33-27-13-15-41(31-10-6-8-25-11-12-29(37)23(3)32(25)31)19-30(27)39-34(28(33)16-38)45-20-26-9-7-14-40(26)5;1-22-9-6-10-26-11-7-13-31(32(22)26)40-16-14-28-30(20-40)38-34(44-21-27-12-8-15-39(27)5)29(17-37)33(28)41-18-23(2)42(24(3)19-41)35(43)25(4)36;1-20-16-42(17-21(2)43(20)34(44)22(3)36)32-25-12-14-41(29-9-5-7-23-10-11-27(37)31(35)30(23)29)18-28(25)39-33(26(32)15-38)45-19-24-8-6-13-40(24)4;1-21-17-41(18-22(2)42(21)34(43)23(3)36)32-26-13-15-40(30-12-6-9-24-8-5-11-28(35)31(24)30)19-29(26)38-33(27(32)16-37)44-20-25-10-7-14-39(25)4;1-20-16-42(17-21(2)43(20)34(44)22(3)35)32-25-12-14-41(29-9-5-7-23-10-11-27(36)31(37)30(23)29)18-28(25)39-33(26(32)15-38)45-19-24-8-6-13-40(24)4;1-5-31(41)40-18-17-39(20-24(40)3)33-27-14-16-38(30-13-7-11-25-10-6-9-23(2)32(25)30)21-29(27)36-34(28(33)19-35)42-22-26-12-8-15-37(26)4;1-19-8-6-10-27(28(19)32(34,35)36)40-13-11-24-26(17-40)38-30(44-18-23-9-7-12-39(23)5)25(14-37)29(24)41-15-20(2)42(21(3)16-41)31(43)22(4)33;1-18-14-41(15-19(2)42(18)30(43)20(3)32)28-22-10-12-40(26-9-5-8-24(33)27(26)31(34,35)36)16-25(22)38-29(23(28)13-37)44-17-21-7-6-11-39(21)4/h6,8,10-12,21-22,26H,4,7,9,13-15,17-20H2,1-3,5H3;6-7,9-11,13,23-24,27H,4,8,12,14-16,18-21H2,1-3,5H3;5,7,9-11,20-21,24H,3,6,8,12-14,16-19H2,1-2,4H3;5-6,8-9,11-12,21-22,25H,3,7,10,13-15,17-20H2,1-2,4H3;5,7,9-11,20-21,24H,3,6,8,12-14,16-19H2,1-2,4H3;5-7,9-11,13,24,26H,1,8,12,14-18,20-22H2,2-4H3;6,8,10,20-21,23H,4,7,9,11-13,15-18H2,1-3,5H3;5,8-9,18-19,21H,3,6-7,10-12,14-17H2,1-2,4H3/t21-,22+,26-;23-,24+,27-;20-,21+,24-;21-,22+,25-;20-,21+,24-;24-,26-;20-,21+,23-;18-,19+,21-/m00000000/s1
InChIKeySYKGCQWGUCMIBB-QJPWJUGTSA-N
MW4880.60 g/mol
LogP42.69
Rot. Bonds48

About 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 160972213) has the molecular formula C269H306Cl2F18N48O16 and a molecular weight of 4880.60 g/mol. Its IUPAC name is 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
PubChem CID160972213
Molecular FormulaC269H306Cl2F18N48O16
Molecular Weight4880.60 g/mol
Exact Mass4876.37
IUPAC Name7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(C)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(C)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(F)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1C.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1C
InChIInChI=1S/C35H40F2N6O2.C35H41FN6O2.C34H37ClF2N6O2.C34H38ClFN6O2.C34H37F3N6O2.C34H40N6O2.C32H38F4N6O2.C31H35F5N6O2/c1-21-17-42(18-22(2)43(21)35(44)24(4)36)33-27-13-15-41(31-10-6-8-25-11-12-29(37)23(3)32(25)31)19-30(27)39-34(28(33)16-38)45-20-26-9-7-14-40(26)5;1-22-9-6-10-26-11-7-13-31(32(22)26)40-16-14-28-30(20-40)38-34(44-21-27-12-8-15-39(27)5)29(17-37)33(28)41-18-23(2)42(24(3)19-41)35(43)25(4)36;1-20-16-42(17-21(2)43(20)34(44)22(3)36)32-25-12-14-41(29-9-5-7-23-10-11-27(37)31(35)30(23)29)18-28(25)39-33(26(32)15-38)45-19-24-8-6-13-40(24)4;1-21-17-41(18-22(2)42(21)34(43)23(3)36)32-26-13-15-40(30-12-6-9-24-8-5-11-28(35)31(24)30)19-29(26)38-33(27(32)16-37)44-20-25-10-7-14-39(25)4;1-20-16-42(17-21(2)43(20)34(44)22(3)35)32-25-12-14-41(29-9-5-7-23-10-11-27(36)31(37)30(23)29)18-28(25)39-33(26(32)15-38)45-19-24-8-6-13-40(24)4;1-5-31(41)40-18-17-39(20-24(40)3)33-27-14-16-38(30-13-7-11-25-10-6-9-23(2)32(25)30)21-29(27)36-34(28(33)19-35)42-22-26-12-8-15-37(26)4;1-19-8-6-10-27(28(19)32(34,35)36)40-13-11-24-26(17-40)38-30(44-18-23-9-7-12-39(23)5)25(14-37)29(24)41-15-20(2)42(21(3)16-41)31(43)22(4)33;1-18-14-41(15-19(2)42(18)30(43)20(3)32)28-22-10-12-40(26-9-5-8-24(33)27(26)31(34,35)36)16-25(22)38-29(23(28)13-37)44-17-21-7-6-11-39(21)4/h6,8,10-12,21-22,26H,4,7,9,13-15,17-20H2,1-3,5H3;6-7,9-11,13,23-24,27H,4,8,12,14-16,18-21H2,1-3,5H3;5,7,9-11,20-21,24H,3,6,8,12-14,16-19H2,1-2,4H3;5-6,8-9,11-12,21-22,25H,3,7,10,13-15,17-20H2,1-2,4H3;5,7,9-11,20-21,24H,3,6,8,12-14,16-19H2,1-2,4H3;5-7,9-11,13,24,26H,1,8,12,14-18,20-22H2,2-4H3;6,8,10,20-21,23H,4,7,9,11-13,15-18H2,1-3,5H3;5,8-9,18-19,21H,3,6-7,10-12,14-17H2,1-2,4H3/t21-,22+,26-;23-,24+,27-;20-,21+,24-;21-,22+,25-;20-,21+,24-;24-,26-;20-,21+,23-;18-,19+,21-/m00000000/s1
InChIKeySYKGCQWGUCMIBB-QJPWJUGTSA-N
XLogP42.69
TPSA607.52 Ų
H-Bond Donors
H-Bond Acceptors56
Rotatable Bonds48
Heavy Atoms353
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5004880.60
LogP ≤ 542.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1056

Analyze 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile with MolForge

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Related Compounds

7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 158164338
7-(7,8-dichloronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(6,7-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(6-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 157259962
tert-butyl (2R)-4-[3-cyano-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridin-4-yl]-2-methylpiperazine-1-carboxylate
CID 156665590
7-(2,3-dichlorophenyl)-4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-3,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]-7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 159170877
7-(5-methyl-1H-indazol-4-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;sulfane
CID 160642562
2-[4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 134325881
2-[(2S)-4-[7-[8-chloro-4-[(5S)-1-methyl-5-[[7-(8-methylnaphthalen-1-yl)-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-yl]oxymethyl]pyrrolidin-3-yl]naphthalen-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
CID 146517343
2-[(2S)-4-[8-(8-chloronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-5,6,7,9-tetrahydropyrimido[4,5-c]azepin-4-yl]-1-(2-fluoroprop-2-enoyl)piperazin-2-yl]acetonitrile
CID 175546877
1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[(1-methylpyrrolidin-2-yl)methoxy]-5,6,8,9-tetrahydropyrimido[4,5-d]azepin-4-yl]-2-methylpiperazin-1-yl]-2-fluoroprop-2-en-1-one
CID 162382784
4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(7-fluoro-1-methyl-3,4-dihydro-2H-quinolin-8-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
CID 166819262
1-[(2R)-4-[7-(8-chloronaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]but-2-yn-1-one;cyclobuten-1-yl-[(2R)-4-[7-(2,3-dimethylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]methanone;1-[(2R)-4-[7-(2,3-dimethylphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-2-(isocyanomethyl)piperazin-1-yl]prop-2-en-1-one;1-[(2R)-2-(isocyanomethyl)-4-[2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]piperazin-1-yl]prop-2-en-1-one
CID 163785965
2-[(2S)-4-[7-(2-chloro-3-fluorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-4-yl]-1-prop-2-enoylpiperazin-2-yl]acetonitrile
CID 134325768

Frequently Asked Questions

What is the IUPAC name of 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 160972213) is 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(C)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc(F)c2C(F)(F)F)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(C)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(Cl)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4ccc(F)c(F)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1C.C=C(F)C(=O)N1[C@H](C)CN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(Cl)c24)C3)C[C@@H]1C.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1C.
What is the InChIKey of 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is SYKGCQWGUCMIBB-QJPWJUGTSA-N. The full InChI is InChI=1S/C35H40F2N6O2.C35H41FN6O2.C34H37ClF2N6O2.C34H38ClFN6O2.C34H37F3N6O2.C34H40N6O2.C32H38F4N6O2.C31H35F5N6O2/c1-21-17-42(18-22(2)43(21)35(44)24(4)36)33-27-13-15-41(31-10-6-8-25-11-12-29(37)23(3)32(25)31)19-30(27)39-34(28(33)16-38)45-20-26-9-7-14-40(26)5;1-22-9-6-10-26-11-7-13-31(32(22)26)40-16-14-28-30(20-40)38-34(44-21-27-12-8-15-39(27)5)29(17-37)33(28)41-18-23(2)42(24(3)19-41)35(43)25(4)36;1-20-16-42(17-21(2)43(20)34(44)22(3)36)32-25-12-14-41(29-9-5-7-23-10-11-27(37)31(35)30(23)29)18-28(25)39-33(26(32)15-38)45-19-24-8-6-13-40(24)4;1-21-17-41(18-22(2)42(21)34(43)23(3)36)32-26-13-15-40(30-12-6-9-24-8-5-11-28(35)31(24)30)19-29(26)38-33(27(32)16-37)44-20-25-10-7-14-39(25)4;1-20-16-42(17-21(2)43(20)34(44)22(3)35)32-25-12-14-41(29-9-5-7-23-10-11-27(36)31(37)30(23)29)18-28(25)39-33(26(32)15-38)45-19-24-8-6-13-40(24)4;1-5-31(41)40-18-17-39(20-24(40)3)33-27-14-16-38(30-13-7-11-25-10-6-9-23(2)32(25)30)21-29(27)36-34(28(33)19-35)42-22-26-12-8-15-37(26)4;1-19-8-6-10-27(28(19)32(34,35)36)40-13-11-24-26(17-40)38-30(44-18-23-9-7-12-39(23)5)25(14-37)29(24)41-15-20(2)42(21(3)16-41)31(43)22(4)33;1-18-14-41(15-19(2)42(18)30(43)20(3)32)28-22-10-12-40(26-9-5-8-24(33)27(26)31(34,35)36)16-25(22)38-29(23(28)13-37)44-17-21-7-6-11-39(21)4/h6,8,10-12,21-22,26H,4,7,9,13-15,17-20H2,1-3,5H3;6-7,9-11,13,23-24,27H,4,8,12,14-16,18-21H2,1-3,5H3;5,7,9-11,20-21,24H,3,6,8,12-14,16-19H2,1-2,4H3;5-6,8-9,11-12,21-22,25H,3,7,10,13-15,17-20H2,1-2,4H3;5,7,9-11,20-21,24H,3,6,8,12-14,16-19H2,1-2,4H3;5-7,9-11,13,24,26H,1,8,12,14-18,20-22H2,2-4H3;6,8,10,20-21,23H,4,7,9,11-13,15-18H2,1-3,5H3;5,8-9,18-19,21H,3,6-7,10-12,14-17H2,1-2,4H3/t21-,22+,26-;23-,24+,27-;20-,21+,24-;21-,22+,25-;20-,21+,24-;24-,26-;20-,21+,23-;18-,19+,21-/m00000000/s1.
What are the key properties of 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 4880.60 g/mol, XLogP of 42.69, 48 rotatable bonds, 0 hydrogen bond donors, and 56 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(8-chloro-7-fluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-chloronaphthalen-1-yl)-4-[(3S,5R)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7,8-difluoronaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(7-fluoro-8-methylnaphthalen-1-yl)-4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-[3-fluoro-2-(trifluoromethyl)phenyl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3R,5S)-4-(2-fluoroprop-2-enoyl)-3,5-dimethylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[3-methyl-2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(8-methylnaphthalen-1-yl)-4-[(3S)-3-methyl-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 160972213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).