tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

C125H111FN30O6 — CID 158197146

IUPACtris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C#N)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.Cn1ccc2cccc(-c3cc4cc(NC(=O)[C@@H]5C[C@@H]5F)ncc4c(N)n3)c21
InChIInChI=1S/C21H18FN5O.4C21H19N5O.C20H17N5O/c1-27-6-5-11-3-2-4-13(19(11)27)17-7-12-8-18(24-10-15(12)20(23)25-17)26-21(28)14-9-16(14)22;4*1-2-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(27)16-7-14(16)10-22;1-11-4-2-3-5-14(11)17-7-12-8-18(23-10-16(12)19(22)24-17)25-20(26)15-6-13(15)9-21/h2-8,10,14,16H,9H2,1H3,(H2,23,25)(H,24,26,28);4*3-6,8-9,11,14,16H,2,7H2,1H3,(H2,23,25)(H,24,26,27);2-5,7-8,10,13,15H,6H2,1H3,(H2,22,24)(H,23,25,26)/t5*14-,16+;13-,15+/m110000/s1
InChIKeyGAMARGMDZILYBI-CPOOJFPASA-N
MW2148.46 g/mol
LogP21.11
Rot. Bonds22

About tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide

tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (PubChem CID 158197146) has the molecular formula C125H111FN30O6 and a molecular weight of 2148.46 g/mol. Its IUPAC name is tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.

Molecular Properties

Compound Nametris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
PubChem CID158197146
Molecular FormulaC125H111FN30O6
Molecular Weight2148.46 g/mol
Exact Mass2146.93
IUPAC Nametris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide
SMILESCCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C#N)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.Cn1ccc2cccc(-c3cc4cc(NC(=O)[C@@H]5C[C@@H]5F)ncc4c(N)n3)c21
InChIInChI=1S/C21H18FN5O.4C21H19N5O.C20H17N5O/c1-27-6-5-11-3-2-4-13(19(11)27)17-7-12-8-18(24-10-15(12)20(23)25-17)26-21(28)14-9-16(14)22;4*1-2-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(27)16-7-14(16)10-22;1-11-4-2-3-5-14(11)17-7-12-8-18(23-10-16(12)19(22)24-17)25-20(26)15-6-13(15)9-21/h2-8,10,14,16H,9H2,1H3,(H2,23,25)(H,24,26,28);4*3-6,8-9,11,14,16H,2,7H2,1H3,(H2,23,25)(H,24,26,27);2-5,7-8,10,13,15H,6H2,1H3,(H2,22,24)(H,23,25,26)/t5*14-,16+;13-,15+/m110000/s1
InChIKeyGAMARGMDZILYBI-CPOOJFPASA-N
XLogP21.11
TPSA609.28 Ų
H-Bond Donors12
H-Bond Acceptors30
Rotatable Bonds22
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002148.46
LogP ≤ 521.11
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1030

Analyze tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide with MolForge

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Related Compounds

cis-N-(8-amino-6-(1-methyl-1H-pyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl)-2-fluorocyclopropanecarboxamide
CID 135344753
N-[8-amino-6-(1-methylpyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135343265
(+-)-trans-N-(8-amino-6-(1-methyl-1H-pyrrolo[2,3-c]pyridin-4-yl)isoquinolin-3-yl)-2-cyanocyclopropane-1-carboxamide
CID 140921720
N-(5-(2-(cyanoimino)-1-(6-(2-cyanopropan-2-yl)pyridin-3-yl)-3-methyl-2,3-dihydro-1H-imidazo[4,5-c]quinolin-8-yl)-3-(trifluoromethyl)pyridin-2-yl)-2-propylpentanamide
CID 56599242
3-[4-[[5,7-Difluoro-3-methyl-2-(2-oxopiperidin-1-yl)quinolin-4-yl]amino]-6-[ethyl(propyl)amino]-3-pyridinyl]benzonitrile
CID 123354271
N-[5-[9-[8-[9-[6-amino-4-(trifluoromethyl)pyridin-3-yl]-2-oxo-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-4-yl]quinolin-3-yl]-2-oxobenzo[h][1,6]naphthyridin-1-yl]-2-methylphenyl]prop-2-enamide
CID 123585371
N-[8-(benzhydrylideneamino)-6-(4-methyl-3-pyridinyl)-7-(trifluoromethyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342438
N-[8-(benzhydrylideneamino)-6-[4-(1,1-difluoroethyl)-3-pyridinyl]isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135342734
N-[8-(benzhydrylideneamino)-7-(difluoromethyl)-6-(4-methyl-3-pyridinyl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 135343259
N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 135344685
cis-(1R,2R)-N-[8-amino-6-(1-methylpyrrolo[3,2-c]pyridin-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
CID 139468521
(1R,2R)-N-[8-(benzhydrylideneamino)-7-(difluoromethyl)-6-(4-methylpyridin-3-yl)isoquinolin-3-yl]-2-cyanocyclopropane-1-carboxamide
CID 140921362

Frequently Asked Questions

What is the IUPAC name of tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The IUPAC name of tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide (CID 158197146) is tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide.
What is the SMILES notation for tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The canonical SMILES for tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is CCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.CCc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3C#N)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3C#N)ncc2c(N)n1.Cn1ccc2cccc(-c3cc4cc(NC(=O)[C@@H]5C[C@@H]5F)ncc4c(N)n3)c21.
What is the InChIKey of tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
The InChIKey is GAMARGMDZILYBI-CPOOJFPASA-N. The full InChI is InChI=1S/C21H18FN5O.4C21H19N5O.C20H17N5O/c1-27-6-5-11-3-2-4-13(19(11)27)17-7-12-8-18(24-10-15(12)20(23)25-17)26-21(28)14-9-16(14)22;4*1-2-12-5-3-4-6-15(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(27)16-7-14(16)10-22;1-11-4-2-3-5-14(11)17-7-12-8-18(23-10-16(12)19(22)24-17)25-20(26)15-6-13(15)9-21/h2-8,10,14,16H,9H2,1H3,(H2,23,25)(H,24,26,28);4*3-6,8-9,11,14,16H,2,7H2,1H3,(H2,23,25)(H,24,26,27);2-5,7-8,10,13,15H,6H2,1H3,(H2,22,24)(H,23,25,26)/t5*14-,16+;13-,15+/m110000/s1.
What are the key properties of tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide?
tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide has a molecular weight of 2148.46 g/mol, XLogP of 21.11, 22 rotatable bonds, 12 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for tris(cis-(1R,2R)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide);cis-(1S,2S)-N-[8-amino-6-(2-ethylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(1-methylindol-7-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide is sourced from PubChem (CID 158197146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).