7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

C183H205Cl2F7N38O14 — CID 157116342

IUPAC7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1c(C)ccc4[nH]ncc14)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1c(C)cccc1C(F)(F)F)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1c(O)cccc1F)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1cc(O)cc4ccccc14)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1cccc(Cl)c1Cl)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1ccccc1C(F)(F)F)C3)C2
InChIInChI=1S/C33H36N6O3.C31H35F3N6O2.C31H36N8O2.C30H33F3N6O2.C29H32Cl2N6O2.C29H33FN6O3/c1-3-30(41)38-18-33(19-38)20-39(21-33)31-26-10-12-37(29-14-24(40)13-22-7-4-5-9-25(22)29)16-28(26)35-32(27(31)15-34)42-17-23-8-6-11-36(23)2;1-4-26(41)39-16-30(17-39)18-40(19-30)28-22-10-12-38(27-20(2)7-5-9-24(27)31(32,33)34)14-25(22)36-29(23(28)13-35)42-15-21-8-6-11-37(21)3;1-4-27(40)38-16-31(17-38)18-39(19-31)29-22-9-11-37(28-20(2)7-8-25-24(28)13-33-35-25)14-26(22)34-30(23(29)12-32)41-15-21-6-5-10-36(21)3;1-3-26(40)38-16-29(17-38)18-39(19-29)27-21-10-12-37(25-9-5-4-8-23(25)30(31,32)33)14-24(21)35-28(22(27)13-34)41-15-20-7-6-11-36(20)2;1-3-25(38)36-15-29(16-36)17-37(18-29)27-20-9-11-35(24-8-4-7-22(30)26(24)31)13-23(20)33-28(21(27)12-32)39-14-19-6-5-10-34(19)2;1-3-25(38)35-15-29(16-35)17-36(18-29)26-20-9-11-34(27-22(30)7-4-8-24(27)37)13-23(20)32-28(21(26)12-31)39-14-19-6-5-10-33(19)2/h3-5,7,9,13-14,23,40H,1,6,8,10-12,16-21H2,2H3;4-5,7,9,21H,1,6,8,10-12,14-19H2,2-3H3;4,7-8,13,21H,1,5-6,9-11,14-19H2,2-3H3,(H,33,35);3-5,8-9,20H,1,6-7,10-12,14-19H2,2H3;3-4,7-8,19H,1,5-6,9-11,13-18H2,2H3;3-4,7-8,19,37H,1,5-6,9-11,13-18H2,2H3/t23-;2*21-;20-;2*19-/m000000/s1
InChIKeyAHLHUNZAZAAWCR-XJXMISDMSA-N
MW3364.80 g/mol
LogP21.48
Rot. Bonds36

About 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile

7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 157116342) has the molecular formula C183H205Cl2F7N38O14 and a molecular weight of 3364.80 g/mol. Its IUPAC name is 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.

Molecular Properties

Compound Name7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
PubChem CID157116342
Molecular FormulaC183H205Cl2F7N38O14
Molecular Weight3364.80 g/mol
Exact Mass3361.58
IUPAC Name7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
SMILESC=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1c(C)ccc4[nH]ncc14)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1c(C)cccc1C(F)(F)F)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1c(O)cccc1F)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1cc(O)cc4ccccc14)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1cccc(Cl)c1Cl)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1ccccc1C(F)(F)F)C3)C2
InChIInChI=1S/C33H36N6O3.C31H35F3N6O2.C31H36N8O2.C30H33F3N6O2.C29H32Cl2N6O2.C29H33FN6O3/c1-3-30(41)38-18-33(19-38)20-39(21-33)31-26-10-12-37(29-14-24(40)13-22-7-4-5-9-25(22)29)16-28(26)35-32(27(31)15-34)42-17-23-8-6-11-36(23)2;1-4-26(41)39-16-30(17-39)18-40(19-30)28-22-10-12-38(27-20(2)7-5-9-24(27)31(32,33)34)14-25(22)36-29(23(28)13-35)42-15-21-8-6-11-37(21)3;1-4-27(40)38-16-31(17-38)18-39(19-31)29-22-9-11-37(28-20(2)7-8-25-24(28)13-33-35-25)14-26(22)34-30(23(29)12-32)41-15-21-6-5-10-36(21)3;1-3-26(40)38-16-29(17-38)18-39(19-29)27-21-10-12-37(25-9-5-4-8-23(25)30(31,32)33)14-24(21)35-28(22(27)13-34)41-15-20-7-6-11-36(20)2;1-3-25(38)36-15-29(16-36)17-37(18-29)27-20-9-11-35(24-8-4-7-22(30)26(24)31)13-23(20)33-28(21(27)12-32)39-14-19-6-5-10-34(19)2;1-3-25(38)35-15-29(16-35)17-36(18-29)26-20-9-11-34(27-22(30)7-4-8-24(27)37)13-23(20)32-28(21(26)12-31)39-14-19-6-5-10-33(19)2/h3-5,7,9,13-14,23,40H,1,6,8,10-12,16-21H2,2H3;4-5,7,9,21H,1,6,8,10-12,14-19H2,2-3H3;4,7-8,13,21H,1,5-6,9-11,14-19H2,2-3H3,(H,33,35);3-5,8-9,20H,1,6-7,10-12,14-19H2,2H3;3-4,7-8,19H,1,5-6,9-11,13-18H2,2H3;3-4,7-8,19,37H,1,5-6,9-11,13-18H2,2H3/t23-;2*21-;20-;2*19-/m000000/s1
InChIKeyAHLHUNZAZAAWCR-XJXMISDMSA-N
XLogP21.48
TPSA524.78 Ų
H-Bond Donors3
H-Bond Acceptors45
Rotatable Bonds36
Heavy Atoms244
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003364.80
LogP ≤ 521.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 157116342) is 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1c(C)ccc4[nH]ncc14)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1c(C)cccc1C(F)(F)F)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1c(O)cccc1F)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1cc(O)cc4ccccc14)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1cccc(Cl)c1Cl)C3)C2.C=CC(=O)N1CC2(C1)CN(c1c(C#N)c(OC[C@@H]3CCCN3C)nc3c1CCN(c1ccccc1C(F)(F)F)C3)C2.
What is the InChIKey of 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is AHLHUNZAZAAWCR-XJXMISDMSA-N. The full InChI is InChI=1S/C33H36N6O3.C31H35F3N6O2.C31H36N8O2.C30H33F3N6O2.C29H32Cl2N6O2.C29H33FN6O3/c1-3-30(41)38-18-33(19-38)20-39(21-33)31-26-10-12-37(29-14-24(40)13-22-7-4-5-9-25(22)29)16-28(26)35-32(27(31)15-34)42-17-23-8-6-11-36(23)2;1-4-26(41)39-16-30(17-39)18-40(19-30)28-22-10-12-38(27-20(2)7-5-9-24(27)31(32,33)34)14-25(22)36-29(23(28)13-35)42-15-21-8-6-11-37(21)3;1-4-27(40)38-16-31(17-38)18-39(19-31)29-22-9-11-37(28-20(2)7-8-25-24(28)13-33-35-25)14-26(22)34-30(23(29)12-32)41-15-21-6-5-10-36(21)3;1-3-26(40)38-16-29(17-38)18-39(19-29)27-21-10-12-37(25-9-5-4-8-23(25)30(31,32)33)14-24(21)35-28(22(27)13-34)41-15-20-7-6-11-36(20)2;1-3-25(38)36-15-29(16-36)17-37(18-29)27-20-9-11-35(24-8-4-7-22(30)26(24)31)13-23(20)33-28(21(27)12-32)39-14-19-6-5-10-34(19)2;1-3-25(38)35-15-29(16-35)17-36(18-29)26-20-9-11-34(27-22(30)7-4-8-24(27)37)13-23(20)32-28(21(26)12-31)39-14-19-6-5-10-33(19)2/h3-5,7,9,13-14,23,40H,1,6,8,10-12,16-21H2,2H3;4-5,7,9,21H,1,6,8,10-12,14-19H2,2-3H3;4,7-8,13,21H,1,5-6,9-11,14-19H2,2-3H3,(H,33,35);3-5,8-9,20H,1,6-7,10-12,14-19H2,2H3;3-4,7-8,19H,1,5-6,9-11,13-18H2,2H3;3-4,7-8,19,37H,1,5-6,9-11,13-18H2,2H3/t23-;2*21-;20-;2*19-/m000000/s1.
What are the key properties of 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 3364.80 g/mol, XLogP of 21.48, 36 rotatable bonds, 3 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,3-dichlorophenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(2-fluoro-6-hydroxyphenyl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(3-hydroxynaphthalen-1-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;7-(5-methyl-1H-indazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-methyl-6-(trifluoromethyl)phenyl]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-4-(2-prop-2-enoyl-2,6-diazaspiro[3.3]heptan-6-yl)-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 157116342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).