cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide

C111H97F7N30O6 — CID 162162096

About cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide (PubChem CID 162162096) has the molecular formula C111H97F7N30O6 and a molecular weight of 2080.19 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 162162096
• Molecular Formula: C111H97F7N30O6
• Molecular Weight: 2080.19 g/mol
• Exact Mass: 2078.81
• IUPAC Name: cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide
• SMILES: Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c(N)n1.Cc1n[nH]c(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.Cc1ncc(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4C#N)ncc3c(N)n2)n1C.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C(F)(F)F)nc(N)c2cn1.Nc1nc(-c2ccccc2)cc2cc(NC(=O)[C@@H]3C[C@H]3F)ncc12
• InChI: InChI=1S/C20H14F3N5O.2C19H17FN4O.C18H15FN4O.C18H17N7O.C17H17FN6O/c21-20(22,23)15-4-2-1-3-12(15)16-6-10-7-17(26-9-14(10)18(25)27-16)28-19(29)13-5-11(13)8-24;2*1-10-4-2-3-5-12(10)16-6-11-7-17(22-9-14(11)18(21)23-16)24-19(25)13-8-15(13)20;19-14-8-12(14)18(24)23-16-7-11-6-15(10-4-2-1-3-5-10)22-17(20)13(11)9-21-16;1-9-21-8-15(25(9)2)14-4-10-5-16(22-7-13(10)17(20)23-14)24-18(26)12-3-11(12)6-19;1-7-15(8(2)24-23-7)13-3-9-4-14(20-6-11(9)16(19)21-13)22-17(25)10-5-12(10)18/h1-4,6-7,9,11,13H,5H2,(H2,25,27)(H,26,28,29);2*2-7,9,13,15H,8H2,1H3,(H2,21,23)(H,22,24,25);1-7,9,12,14H,8H2,(H2,20,22)(H,21,23,24);4-5,7-8,11-12H,3H2,1-2H3,(H2,20,23)(H,22,24,26);3-4,6,10,12H,5H2,1-2H3,(H2,19,21)(H,23,24)(H,20,22,25)/t11-,13+;2*13-,15-;12-,14-;11-,12+;10-,12+/m010101/s1
• InChIKey: ZMPWIKCTJSGSJZ-OWZACQBKSA-N
• XLogP: 18.67
• TPSA: 579.48 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 18
• Heavy Atoms: 154
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2080.19
LogP ≤ 5	18.67
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide (CID 162162096) is cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide is Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@H]3C[C@@H]3F)ncc2c(N)n1.Cc1n[nH]c(C)c1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.Cc1ncc(-c2cc3cc(NC(=O)[C@@H]4C[C@H]4C#N)ncc3c(N)n2)n1C.N#C[C@@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C(F)(F)F)nc(N)c2cn1.Nc1nc(-c2ccccc2)cc2cc(NC(=O)[C@@H]3C[C@H]3F)ncc12.

What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?

The InChIKey is ZMPWIKCTJSGSJZ-OWZACQBKSA-N. The full InChI is InChI=1S/C20H14F3N5O.2C19H17FN4O.C18H15FN4O.C18H17N7O.C17H17FN6O/c21-20(22,23)15-4-2-1-3-12(15)16-6-10-7-17(26-9-14(10)18(25)27-16)28-19(29)13-5-11(13)8-24;2*1-10-4-2-3-5-12(10)16-6-11-7-17(22-9-14(11)18(21)23-16)24-19(25)13-8-15(13)20;19-14-8-12(14)18(24)23-16-7-11-6-15(10-4-2-1-3-5-10)22-17(20)13(11)9-21-16;1-9-21-8-15(25(9)2)14-4-10-5-16(22-7-13(10)17(20)23-14)24-18(26)12-3-11(12)6-19;1-7-15(8(2)24-23-7)13-3-9-4-14(20-6-11(9)16(19)21-13)22-17(25)10-5-12(10)18/h1-4,6-7,9,11,13H,5H2,(H2,25,27)(H,26,28,29);2*2-7,9,13,15H,8H2,1H3,(H2,21,23)(H,22,24,25);1-7,9,12,14H,8H2,(H2,20,22)(H,21,23,24);4-5,7-8,11-12H,3H2,1-2H3,(H2,20,23)(H,22,24,26);3-4,6,10,12H,5H2,1-2H3,(H2,19,21)(H,23,24)(H,20,22,25)/t11-,13+;2*13-,15-;12-,14-;11-,12+;10-,12+/m010101/s1.

What are the key properties of cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide?

cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide has a molecular weight of 2080.19 g/mol, XLogP of 18.67, 18 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[8-amino-6-(2,3-dimethylimidazol-4-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(3,5-dimethyl-1H-pyrazol-4-yl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1R,2R)-N-[8-amino-6-[2-(trifluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1S,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1R,2S)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;trans-(1S,2R)-N-(8-amino-6-phenyl-2,7-naphthyridin-3-yl)-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 162162096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).