cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

C108H98F3N27O8 — CID 159332392

About cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide

cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (PubChem CID 159332392) has the molecular formula C108H98F3N27O8 and a molecular weight of 1959.15 g/mol. Its IUPAC name is cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
• PubChem CID: 159332392
• Molecular Formula: C108H98F3N27O8
• Molecular Weight: 1959.15 g/mol
• Exact Mass: 1957.80
• IUPAC Name: cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide
• SMILES: C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5C#N)ncc4c(N)n3)cc2O1.CCNC(=O)[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ncc2c(N)n1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cc[nH]c3C(F)(F)F)nc(N)c2cn1
• InChI: InChI=1S/C24H21N5O.C22H18N6O2.2C22H23N5O2.C18H13F3N6O/c1-14-5-2-3-7-17(14)21-9-16-10-22(27-13-20(16)23(25)28-21)29-24(30)19-11-18(19)15-6-4-8-26-12-15;1-10-3-18-19(30-11(2)26-18)7-14(10)17-5-12-6-20(25-9-16(12)21(24)27-17)28-22(29)15-4-13(15)8-23;1-12-6-4-5-7-14(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(28)15-10-16(15)22(29)27(2)3;1-3-24-21(28)15-10-16(15)22(29)27-19-9-13-8-18(14-7-5-4-6-12(14)2)26-20(23)17(13)11-25-19;19-18(20,21)15-10(1-2-24-15)13-4-8-5-14(25-7-12(8)16(23)26-13)27-17(28)11-3-9(11)6-22/h2-10,12-13,18-19H,11H2,1H3,(H2,25,28)(H,27,29,30);3,5-7,9,13,15,26H,2,4H2,1H3,(H2,24,27)(H,25,28,29);4-9,11,15-16H,10H2,1-3H3,(H2,23,25)(H,24,26,28);4-9,11,15-16H,3,10H2,1-2H3,(H2,23,26)(H,24,28)(H,25,27,29);1-2,4-5,7,9,11,24H,3H2,(H2,23,26)(H,25,27,28)/t18-,19+;13-,15+;2*15-,16+;9-,11+/m00101/s1
• InChIKey: LFCSPSJYAPCNRA-YBNNYRPCSA-N
• XLogP: 16.96
• TPSA: 551.43 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 27
• Rotatable Bonds: 19
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1959.15
LogP ≤ 5	16.96
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

The IUPAC name of cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide (CID 159332392) is cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide.

What is the SMILES notation for cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

The canonical SMILES for cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is C=C1Nc2cc(C)c(-c3cc4cc(NC(=O)[C@@H]5C[C@H]5C#N)ncc4c(N)n3)cc2O1.CCNC(=O)[C@H]1C[C@H]1C(=O)Nc1cc2cc(-c3ccccc3C)nc(N)c2cn1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3C(=O)N(C)C)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@H]3c3cccnc3)ncc2c(N)n1.N#C[C@H]1C[C@@H]1C(=O)Nc1cc2cc(-c3cc[nH]c3C(F)(F)F)nc(N)c2cn1.

What is the InChIKey of cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

The InChIKey is LFCSPSJYAPCNRA-YBNNYRPCSA-N. The full InChI is InChI=1S/C24H21N5O.C22H18N6O2.2C22H23N5O2.C18H13F3N6O/c1-14-5-2-3-7-17(14)21-9-16-10-22(27-13-20(16)23(25)28-21)29-24(30)19-11-18(19)15-6-4-8-26-12-15;1-10-3-18-19(30-11(2)26-18)7-14(10)17-5-12-6-20(25-9-16(12)21(24)27-17)28-22(29)15-4-13(15)8-23;1-12-6-4-5-7-14(12)18-8-13-9-19(24-11-17(13)20(23)25-18)26-21(28)15-10-16(15)22(29)27(2)3;1-3-24-21(28)15-10-16(15)22(29)27-19-9-13-8-18(14-7-5-4-6-12(14)2)26-20(23)17(13)11-25-19;19-18(20,21)15-10(1-2-24-15)13-4-8-5-14(25-7-12(8)16(23)26-13)27-17(28)11-3-9(11)6-22/h2-10,12-13,18-19H,11H2,1H3,(H2,25,28)(H,27,29,30);3,5-7,9,13,15,26H,2,4H2,1H3,(H2,24,27)(H,25,28,29);4-9,11,15-16H,10H2,1-3H3,(H2,23,25)(H,24,26,28);4-9,11,15-16H,3,10H2,1-2H3,(H2,23,26)(H,24,28)(H,25,27,29);1-2,4-5,7,9,11,24H,3H2,(H2,23,26)(H,25,27,28)/t18-,19+;13-,15+;2*15-,16+;9-,11+/m00101/s1.

What are the key properties of cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide?

cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide has a molecular weight of 1959.15 g/mol, XLogP of 16.96, 19 rotatable bonds, 13 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for cis-(1R,2R)-N-[8-amino-6-(5-methyl-2-methylidene-3H-1,3-benzoxazol-6-yl)-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;cis-(1S,2R)-2-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-1-N,1-N-dimethylcyclopropane-1,2-dicarboxamide;cis-(1R,2S)-1-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-N-ethylcyclopropane-1,2-dicarboxamide;cis-(1S,2S)-N-[8-amino-6-[2-(trifluoromethyl)-1H-pyrrol-3-yl]-2,7-naphthyridin-3-yl]-2-cyanocyclopropane-1-carboxamide;trans-(1R,2R)-N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2-pyridin-3-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 159332392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).