4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C221H266F3N59O15 — CID 158761672

IUPAC4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC/C=C(\C)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@H]3CCCN3C)nc3c2CCN(c2c(C(F)(F)F)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@H]3CCCN3C)nc3c2CCN(c2c(OC)ccc4[nH]ncc24)C3)CC1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)/C=C/C#N)CC2)C1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)/C=C/C3CC3)CC2)C1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)/C=C/N(C)C)CC2)C1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)C3=CCNCC3)CC2)C1
InChIInChI=1S/C33H41N9O2.C33H40N8O2.C32H41N9O2.C32H40N8O2.C31H35N9O2.C30H33F3N8O2.C30H36N8O3/c1-22-5-6-28-27(19-36-38-28)30(22)42-13-9-25-29(20-42)37-32(44-21-24-4-3-12-39(24)2)26(18-34)31(25)40-14-16-41(17-15-40)33(43)23-7-10-35-11-8-23;1-22-5-9-28-27(19-35-37-28)31(22)41-13-11-25-29(20-41)36-33(43-21-24-4-3-12-38(24)2)26(18-34)32(25)40-16-14-39(15-17-40)30(42)10-8-23-6-7-23;1-22-7-8-27-26(19-34-36-27)30(22)41-13-9-24-28(20-41)35-32(43-21-23-6-5-11-38(23)4)25(18-33)31(24)40-16-14-39(15-17-40)29(42)10-12-37(2)3;1-5-21(2)32(41)39-15-13-38(14-16-39)30-24-10-12-40(29-22(3)8-9-27-26(29)18-34-36-27)19-28(24)35-31(25(30)17-33)42-20-23-7-6-11-37(23)4;1-21-7-8-26-25(18-34-36-26)29(21)40-12-9-23-27(19-40)35-31(42-20-22-5-4-11-37(22)2)24(17-33)30(23)39-15-13-38(14-16-39)28(41)6-3-10-32;1-3-26(42)39-11-13-40(14-12-39)27-20-8-10-41(28-22-16-35-37-24(22)7-6-23(28)30(31,32)33)17-25(20)36-29(21(27)15-34)43-18-19-5-4-9-38(19)2;1-4-27(39)36-12-14-37(15-13-36)28-21-9-11-38(29-23-17-32-34-24(23)7-8-26(29)40-3)18-25(21)33-30(22(28)16-31)41-19-20-6-5-10-35(20)2/h5-7,19,24,35H,3-4,8-17,20-21H2,1-2H3,(H,36,38);5,8-10,19,23-24H,3-4,6-7,11-17,20-21H2,1-2H3,(H,35,37);7-8,10,12,19,23H,5-6,9,11,13-17,20-21H2,1-4H3,(H,34,36);5,8-9,18,23H,6-7,10-16,19-20H2,1-4H3,(H,34,36);3,6-8,18,22H,4-5,9,11-16,19-20H2,1-2H3,(H,34,36);3,6-7,16,19H,1,4-5,8-14,17-18H2,2H3,(H,35,37);4,7-8,17,20H,1,5-6,9-15,18-19H2,2-3H3,(H,32,34)/b;10-8+;12-10+;21-5+;6-3+;;/t2*24-;2*23-;22-;19-;20-/m0000011/s1
InChIKeyIOTGCCHCNNQZJN-MBNUMDDRSA-N
MW4045.95 g/mol
LogP22.55
Rot. Bonds45

About 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 158761672) has the molecular formula C221H266F3N59O15 and a molecular weight of 4045.95 g/mol. Its IUPAC name is 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
PubChem CID158761672
Molecular FormulaC221H266F3N59O15
Molecular Weight4045.95 g/mol
Exact Mass4043.18
IUPAC Name4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC/C=C(\C)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@H]3CCCN3C)nc3c2CCN(c2c(C(F)(F)F)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@H]3CCCN3C)nc3c2CCN(c2c(OC)ccc4[nH]ncc24)C3)CC1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)/C=C/C#N)CC2)C1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)/C=C/C3CC3)CC2)C1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)/C=C/N(C)C)CC2)C1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)C3=CCNCC3)CC2)C1
InChIInChI=1S/C33H41N9O2.C33H40N8O2.C32H41N9O2.C32H40N8O2.C31H35N9O2.C30H33F3N8O2.C30H36N8O3/c1-22-5-6-28-27(19-36-38-28)30(22)42-13-9-25-29(20-42)37-32(44-21-24-4-3-12-39(24)2)26(18-34)31(25)40-14-16-41(17-15-40)33(43)23-7-10-35-11-8-23;1-22-5-9-28-27(19-35-37-28)31(22)41-13-11-25-29(20-41)36-33(43-21-24-4-3-12-38(24)2)26(18-34)32(25)40-16-14-39(15-17-40)30(42)10-8-23-6-7-23;1-22-7-8-27-26(19-34-36-27)30(22)41-13-9-24-28(20-41)35-32(43-21-23-6-5-11-38(23)4)25(18-33)31(24)40-16-14-39(15-17-40)29(42)10-12-37(2)3;1-5-21(2)32(41)39-15-13-38(14-16-39)30-24-10-12-40(29-22(3)8-9-27-26(29)18-34-36-27)19-28(24)35-31(25(30)17-33)42-20-23-7-6-11-37(23)4;1-21-7-8-26-25(18-34-36-26)29(21)40-12-9-23-27(19-40)35-31(42-20-22-5-4-11-37(22)2)24(17-33)30(23)39-15-13-38(14-16-39)28(41)6-3-10-32;1-3-26(42)39-11-13-40(14-12-39)27-20-8-10-41(28-22-16-35-37-24(22)7-6-23(28)30(31,32)33)17-25(20)36-29(21(27)15-34)43-18-19-5-4-9-38(19)2;1-4-27(39)36-12-14-37(15-13-36)28-21-9-11-38(29-23-17-32-34-24(23)7-8-26(29)40-3)18-25(21)33-30(22(28)16-31)41-19-20-6-5-10-35(20)2/h5-7,19,24,35H,3-4,8-17,20-21H2,1-2H3,(H,36,38);5,8-10,19,23-24H,3-4,6-7,11-17,20-21H2,1-2H3,(H,35,37);7-8,10,12,19,23H,5-6,9,11,13-17,20-21H2,1-4H3,(H,34,36);5,8-9,18,23H,6-7,10-16,19-20H2,1-4H3,(H,34,36);3,6-8,18,22H,4-5,9,11-16,19-20H2,1-2H3,(H,34,36);3,6-7,16,19H,1,4-5,8-14,17-18H2,2H3,(H,35,37);4,7-8,17,20H,1,5-6,9-15,18-19H2,2-3H3,(H,32,34)/b;10-8+;12-10+;21-5+;6-3+;;/t2*24-;2*23-;22-;19-;20-/m0000011/s1
InChIKeyIOTGCCHCNNQZJN-MBNUMDDRSA-N
XLogP22.55
TPSA780.63 Ų
H-Bond Donors8
H-Bond Acceptors60
Rotatable Bonds45
Heavy Atoms298
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004045.95
LogP ≤ 522.55
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1060

Analyze 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile with MolForge

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What is the IUPAC name of 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 158761672) is 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is C/C=C(\C)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@H]3CCCN3C)nc3c2CCN(c2c(C(F)(F)F)ccc4[nH]ncc24)C3)CC1.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@H]3CCCN3C)nc3c2CCN(c2c(OC)ccc4[nH]ncc24)C3)CC1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)/C=C/C#N)CC2)C1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)/C=C/C3CC3)CC2)C1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)/C=C/N(C)C)CC2)C1.Cc1ccc2[nH]ncc2c1N1CCc2c(nc(OC[C@@H]3CCCN3C)c(C#N)c2N2CCN(C(=O)C3=CCNCC3)CC2)C1.
What is the InChIKey of 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is IOTGCCHCNNQZJN-MBNUMDDRSA-N. The full InChI is InChI=1S/C33H41N9O2.C33H40N8O2.C32H41N9O2.C32H40N8O2.C31H35N9O2.C30H33F3N8O2.C30H36N8O3/c1-22-5-6-28-27(19-36-38-28)30(22)42-13-9-25-29(20-42)37-32(44-21-24-4-3-12-39(24)2)26(18-34)31(25)40-14-16-41(17-15-40)33(43)23-7-10-35-11-8-23;1-22-5-9-28-27(19-35-37-28)31(22)41-13-11-25-29(20-41)36-33(43-21-24-4-3-12-38(24)2)26(18-34)32(25)40-16-14-39(15-17-40)30(42)10-8-23-6-7-23;1-22-7-8-27-26(19-34-36-27)30(22)41-13-9-24-28(20-41)35-32(43-21-23-6-5-11-38(23)4)25(18-33)31(24)40-16-14-39(15-17-40)29(42)10-12-37(2)3;1-5-21(2)32(41)39-15-13-38(14-16-39)30-24-10-12-40(29-22(3)8-9-27-26(29)18-34-36-27)19-28(24)35-31(25(30)17-33)42-20-23-7-6-11-37(23)4;1-21-7-8-26-25(18-34-36-26)29(21)40-12-9-23-27(19-40)35-31(42-20-22-5-4-11-37(22)2)24(17-33)30(23)39-15-13-38(14-16-39)28(41)6-3-10-32;1-3-26(42)39-11-13-40(14-12-39)27-20-8-10-41(28-22-16-35-37-24(22)7-6-23(28)30(31,32)33)17-25(20)36-29(21(27)15-34)43-18-19-5-4-9-38(19)2;1-4-27(39)36-12-14-37(15-13-36)28-21-9-11-38(29-23-17-32-34-24(23)7-8-26(29)40-3)18-25(21)33-30(22(28)16-31)41-19-20-6-5-10-35(20)2/h5-7,19,24,35H,3-4,8-17,20-21H2,1-2H3,(H,36,38);5,8-10,19,23-24H,3-4,6-7,11-17,20-21H2,1-2H3,(H,35,37);7-8,10,12,19,23H,5-6,9,11,13-17,20-21H2,1-4H3,(H,34,36);5,8-9,18,23H,6-7,10-16,19-20H2,1-4H3,(H,34,36);3,6-8,18,22H,4-5,9,11-16,19-20H2,1-2H3,(H,34,36);3,6-7,16,19H,1,4-5,8-14,17-18H2,2H3,(H,35,37);4,7-8,17,20H,1,5-6,9-15,18-19H2,2-3H3,(H,32,34)/b;10-8+;12-10+;21-5+;6-3+;;/t2*24-;2*23-;22-;19-;20-/m0000011/s1.
What are the key properties of 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 4045.95 g/mol, XLogP of 22.55, 45 rotatable bonds, 8 hydrogen bond donors, and 60 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(E)-3-cyanoprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-cyclopropylprop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-3-(dimethylamino)prop-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methoxy-1H-indazol-4-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[4-[(E)-2-methylbut-2-enoyl]piperazin-1-yl]-7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-[4-(1,2,3,6-tetrahydropyridine-4-carbonyl)piperazin-1-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-4-(4-prop-2-enoylpiperazin-1-yl)-7-[5-(trifluoromethyl)-1H-indazol-4-yl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 158761672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).