About 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile
4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (PubChem CID 158759115) has the molecular formula C128H146F5N29O10
and a molecular weight of 2345.76 g/mol. Its IUPAC name is 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.
Frequently Asked Questions
What is the IUPAC name of 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The IUPAC name of 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile (CID 158759115) is 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile.
What is the SMILES notation for 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The canonical SMILES for 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]c(=O)oc24)C3)C[C@@H]1C.C=C(F)C(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2c(C)ccc4[nH]cnc24)C3)C[C@@H]1C.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@@H]3CCCN3C)nc3c2CCN(c2ccccc2C(F)(F)F)C3)C[C@@H]1CC#N.C=CC(=O)N1CCN(c2c(C#N)c(OC[C@H]3CCCN3C)nc3c2CCN(c2cccc4cccc(C)c24)C3)C[C@@H]1CC#N.
What is the InChIKey of 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
The InChIKey is IOLCQXHNPUEBPM-QAFVKNGTSA-N. The full InChI is InChI=1S/C35H39N7O2.C31H34F3N7O2.C31H37FN8O2.C31H36FN7O4/c1-4-32(43)42-19-18-41(21-26(42)13-15-36)34-28-14-17-40(31-12-6-10-25-9-5-8-24(2)33(25)31)22-30(28)38-35(29(34)20-37)44-23-27-11-7-16-39(27)3;1-3-28(42)41-16-15-40(18-21(41)10-12-35)29-23-11-14-39(27-9-5-4-8-25(27)31(32,33)34)19-26(23)37-30(24(29)17-36)43-20-22-7-6-13-38(22)2;1-19-7-8-25-27(35-18-34-25)28(19)38-11-9-23-26(16-38)36-30(42-17-22-6-5-10-37(22)4)24(14-33)29(23)39-12-13-40(20(2)15-39)31(41)21(3)32;1-18-7-8-24-28(43-31(41)35-24)26(18)37-11-9-22-25(16-37)34-29(42-17-21-6-5-10-36(21)4)23(14-33)27(22)38-12-13-39(19(2)15-38)30(40)20(3)32/h4-6,8-10,12,26-27H,1,7,11,13-14,16-19,21-23H2,2-3H3;3-5,8-9,21-22H,1,6-7,10-11,13-16,18-20H2,2H3;7-8,18,20,22H,3,5-6,9-13,15-17H2,1-2,4H3,(H,34,35);7-8,19,21H,3,5-6,9-13,15-17H2,1-2,4H3,(H,35,41)/t26-,27+;21-,22-;20-,22-;19-,21-/m0000/s1.
What are the key properties of 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile?
4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile has a molecular weight of 2345.76 g/mol, XLogP of 15.64, 26 rotatable bonds, 2 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-7-(8-methylnaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-3-(cyanomethyl)-4-prop-2-enoylpiperazin-1-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-7-[2-(trifluoromethyl)phenyl]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(5-methyl-1H-benzimidazol-4-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile;4-[(3S)-4-(2-fluoroprop-2-enoyl)-3-methylpiperazin-1-yl]-7-(6-methyl-2-oxo-3H-1,3-benzoxazol-7-yl)-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-1,7-naphthyridine-3-carbonitrile is sourced from PubChem (CID 158759115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).