About cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 159990201) has the molecular formula C152H128Cl2N34O8
and a molecular weight of 2629.83 g/mol. Its IUPAC name is cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
Frequently Asked Questions
What is the IUPAC name of cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 159990201) is cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.
What is the SMILES notation for cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is C#Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4CC#N)ncc3c(N)n2)c1.C#Cc1ccc(C)c(-c2cc3cc(NC(=O)[C@H]4C[C@@H]4CC#N)ncc3c(N)n2)c1.Cc1cc(-c2nc(-c3ccccc3)co2)ccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cc(-c2nc(-c3ccccc3)co2)ccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3c3cnn(C)c3)ncc2c(N)n1.Cc1cccc(Cl)c1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3CC#N)ncc2c(N)n1.Cc1cccc(Cl)c1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3CC#N)ncc2c(N)n1.
What is the InChIKey of cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is OGVWBOOGOBEISF-KTAYTZPESA-N. The full InChI is InChI=1S/2C32H27N7O2.2C23H19N5O.2C21H18ClN5O/c2*1-18-10-20(32-37-28(17-41-32)19-6-4-3-5-7-19)8-9-23(18)27-11-21-12-29(34-15-26(21)30(33)36-27)38-31(40)25-13-24(25)22-14-35-39(2)16-22;2*1-3-14-5-4-13(2)17(8-14)20-10-16-11-21(26-12-19(16)22(25)27-20)28-23(29)18-9-15(18)6-7-24;2*1-11-3-2-4-16(22)19(11)17-8-13-9-18(25-10-15(13)20(24)26-17)27-21(28)14-7-12(14)5-6-23/h2*3-12,14-17,24-25H,13H2,1-2H3,(H2,33,36)(H,34,38,40);2*1,4-5,8,10-12,15,18H,6,9H2,2H3,(H2,25,27)(H,26,28,29);2*2-4,8-10,12,14H,5,7H2,1H3,(H2,24,26)(H,25,27,28)/t2*24-,25+;2*15-,18-;2*12-,14-/m101010/s1.
What are the key properties of cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2629.83 g/mol, XLogP of 27.94, 28 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(2-chloro-6-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-6-(5-ethynyl-2-methylphenyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-[2-methyl-4-(4-phenyl-1,3-oxazol-2-yl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 159990201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).