cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

C116H110Cl2N30O7 — CID 157151593

IUPACcis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESC=Cc1c(-c2cnccc2C)nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc12.Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3CC#N)cc2c1C1CC1.Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc2c1C1CC1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)c(-c4ccccc4CCO)nc(N)c3cn2)cn1.Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3c(Cl)c(-c4ccccc4CCO)nc(N)c3cn2)cn1
InChIInChI=1S/2C24H23ClN6O2.2C23H22N6O.C22H20N6O/c2*1-31-12-14(10-28-31)16-8-18(16)24(33)29-20-9-17-19(11-27-20)23(26)30-22(21(17)25)15-5-3-2-4-13(15)6-7-32;2*1-12-5-7-26-10-17(12)21-20(13-2-3-13)16-9-19(27-11-18(16)22(25)29-21)28-23(30)15-8-14(15)4-6-24;1-3-14-16-9-19(27-22(29)15-8-13(15)4-6-23)26-11-18(16)21(24)28-20(14)17-10-25-7-5-12(17)2/h2*2-5,9-12,16,18,32H,6-8H2,1H3,(H2,26,30)(H,27,29,33);2*5,7,9-11,13-15H,2-4,8H2,1H3,(H2,25,29)(H,27,28,30);3,5,7,9-11,13,15H,1,4,8H2,2H3,(H2,24,28)(H,26,27,29)/t2*16-,18+;2*14-,15-;13-,15-/m10100/s1
InChIKeyALHXBCOMERWWBK-XAROLMHJSA-N
MW2107.26 g/mol
LogP18.70
Rot. Bonds27

About cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide

cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (PubChem CID 157151593) has the molecular formula C116H110Cl2N30O7 and a molecular weight of 2107.26 g/mol. Its IUPAC name is cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Namecis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
PubChem CID157151593
Molecular FormulaC116H110Cl2N30O7
Molecular Weight2107.26 g/mol
Exact Mass2104.86
IUPAC Namecis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
SMILESC=Cc1c(-c2cnccc2C)nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc12.Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3CC#N)cc2c1C1CC1.Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc2c1C1CC1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)c(-c4ccccc4CCO)nc(N)c3cn2)cn1.Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3c(Cl)c(-c4ccccc4CCO)nc(N)c3cn2)cn1
InChIInChI=1S/2C24H23ClN6O2.2C23H22N6O.C22H20N6O/c2*1-31-12-14(10-28-31)16-8-18(16)24(33)29-20-9-17-19(11-27-20)23(26)30-22(21(17)25)15-5-3-2-4-13(15)6-7-32;2*1-12-5-7-26-10-17(12)21-20(13-2-3-13)16-9-19(27-11-18(16)22(25)29-21)28-23(30)15-8-14(15)4-6-24;1-3-14-16-9-19(27-22(29)15-8-13(15)4-6-23)26-11-18(16)21(24)28-20(14)17-10-25-7-5-12(17)2/h2*2-5,9-12,16,18,32H,6-8H2,1H3,(H2,26,30)(H,27,29,33);2*5,7,9-11,13-15H,2-4,8H2,1H3,(H2,25,29)(H,27,28,30);3,5,7,9-11,13,15H,1,4,8H2,2H3,(H2,24,28)(H,26,27,29)/t2*16-,18+;2*14-,15-;13-,15-/m10100/s1
InChIKeyALHXBCOMERWWBK-XAROLMHJSA-N
XLogP18.70
TPSA590.64 Ų
H-Bond Donors12
H-Bond Acceptors32
Rotatable Bonds27
Heavy Atoms155
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002107.26
LogP ≤ 518.70
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1032

Analyze cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide with MolForge

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Related Compounds

trans-(1R,2R)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344564
(1R,2R)-N-(8-amino-5-chloro-6-(4-(2-hydroxyethyl)pyridin-3-yl)-2,7-naphthyridin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344583
trans-(1S,2S)-N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344959
(1S,2S)-N-(8-amino-5-chloro-6-(4-(2-hydroxyethyl)pyridin-3-yl)-2,7-naphthyridin-3-yl)-2-(1-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 156477345
trans-(1R,2R)-N-[8-amino-6-[4-[1-[[3-[4-[2-[[6-[[(1S,2S)-2-fluorocyclopropanecarbonyl]amino]-3-[4-methyl-5-(methylamino)-3-pyridinyl]-2,7-naphthyridin-1-yl]amino]oxyethyl]-3-pyridinyl]-6-[[(1S,2S)-2-(1-methylpyrazol-4-yl)cyclopropanecarbonyl]amino]-2,7-naphthyridin-1-yl]amino]-2-hydroxyethyl]-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 156477469
N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 157964204
CID 158379419
CID 158379419
CID 159779082
CID 159779082
N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]spiro[2.2]pentane-2-carboxamide;cis-(1S,2S)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(4-methyl-6-phenyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(isocyanomethyl)cyclopropane-1-carboxamide;6-N-[(2,2-difluorocyclopropyl)methyl]-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;6-N-(2,2-difluoroethyl)-3-(2-methylphenyl)-2,7-naphthyridine-1,6-diamine;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 161289047
N-[8-amino-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344563
trans-(1R,2R)-N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(5-methyl-1H-pyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344584
N-[8-amino-5-chloro-6-[4-(2-hydroxyethyl)-3-pyridinyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide
CID 135344605

Frequently Asked Questions

What is the IUPAC name of cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The IUPAC name of cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide (CID 157151593) is cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)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-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The canonical SMILES for cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is C=Cc1c(-c2cnccc2C)nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc12.Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@@H]3C[C@H]3CC#N)cc2c1C1CC1.Cc1ccncc1-c1nc(N)c2cnc(NC(=O)[C@H]3C[C@@H]3CC#N)cc2c1C1CC1.Cn1cc([C@@H]2C[C@H]2C(=O)Nc2cc3c(Cl)c(-c4ccccc4CCO)nc(N)c3cn2)cn1.Cn1cc([C@H]2C[C@@H]2C(=O)Nc2cc3c(Cl)c(-c4ccccc4CCO)nc(N)c3cn2)cn1.
What is the InChIKey of cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
The InChIKey is ALHXBCOMERWWBK-XAROLMHJSA-N. The full InChI is InChI=1S/2C24H23ClN6O2.2C23H22N6O.C22H20N6O/c2*1-31-12-14(10-28-31)16-8-18(16)24(33)29-20-9-17-19(11-27-20)23(26)30-22(21(17)25)15-5-3-2-4-13(15)6-7-32;2*1-12-5-7-26-10-17(12)21-20(13-2-3-13)16-9-19(27-11-18(16)22(25)29-21)28-23(30)15-8-14(15)4-6-24;1-3-14-16-9-19(27-22(29)15-8-13(15)4-6-23)26-11-18(16)21(24)28-20(14)17-10-25-7-5-12(17)2/h2*2-5,9-12,16,18,32H,6-8H2,1H3,(H2,26,30)(H,27,29,33);2*5,7,9-11,13-15H,2-4,8H2,1H3,(H2,25,29)(H,27,28,30);3,5,7,9-11,13,15H,1,4,8H2,2H3,(H2,24,28)(H,26,27,29)/t2*16-,18+;2*14-,15-;13-,15-/m10100/s1.
What are the key properties of cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide?
cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide has a molecular weight of 2107.26 g/mol, XLogP of 18.70, 27 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,2R)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1R,2S)-N-[8-amino-5-cyclopropyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;cis-(1S,2R)-N-[8-amino-5-ethenyl-6-(4-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-(cyanomethyl)cyclopropane-1-carboxamide;trans-(1S,2S)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-5-chloro-6-[2-(2-hydroxyethyl)phenyl]-2,7-naphthyridin-3-yl]-2-(1-methylpyrazol-4-yl)cyclopropane-1-carboxamide is sourced from PubChem (CID 157151593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).