N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

C108H97F8N29O7 — CID 158941869

About N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide

N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (PubChem CID 158941869) has the molecular formula C108H97F8N29O7 and a molecular weight of 2065.14 g/mol. Its IUPAC name is N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• PubChem CID: 158941869
• Molecular Formula: C108H97F8N29O7
• Molecular Weight: 2065.14 g/mol
• Exact Mass: 2063.80
• IUPAC Name: N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide
• SMILES: CCc1ncccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.CNC(=O)Nc1cc2cc(-c3cnn(C)c3)nc(N)c2cn1.COc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3(F)F)ncc2c(N)n1.Cc1ncccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.Nc1nc(-c2ccccc2C(F)F)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12
• InChI: InChI=1S/C19H15F3N4O.C19H16F2N4O.C19H18FN5O.C19H17FN4O2.C18H16FN5O.C14H15N7O/c20-14-7-12(14)19(27)26-16-6-9-5-15(25-18(23)13(9)8-24-16)10-3-1-2-4-11(10)17(21)22;1-10-4-2-3-5-12(10)15-6-11-7-16(23-9-13(11)17(22)24-15)25-18(26)14-8-19(14,20)21;1-2-15-11(4-3-5-22-15)16-6-10-7-17(23-9-13(10)18(21)24-16)25-19(26)12-8-14(12)20;1-26-16-5-3-2-4-11(16)15-6-10-7-17(22-9-13(10)18(21)23-15)24-19(25)12-8-14(12)20;1-9-11(3-2-4-21-9)15-5-10-6-16(22-8-13(10)17(20)23-15)24-18(25)12-7-14(12)19;1-16-14(22)20-12-4-8-3-11(9-5-18-21(2)7-9)19-13(15)10(8)6-17-12/h1-6,8,12,14,17H,7H2,(H2,23,25)(H,24,26,27);2-7,9,14H,8H2,1H3,(H2,22,24)(H,23,25,26);3-7,9,12,14H,2,8H2,1H3,(H2,21,24)(H,23,25,26);2-7,9,12,14H,8H2,1H3,(H2,21,23)(H,22,24,25);2-6,8,12,14H,7H2,1H3,(H2,20,23)(H,22,24,25);3-7H,1-2H3,(H2,15,19)(H2,16,17,20,22)/t12-,14+;;3*12-,14+;/m1.111./s1
• InChIKey: JKIUUDXJVKQKFZ-IXJDWZDTSA-N
• XLogP: 18.45
• TPSA: 550.26 Ų
• H-Bond Donors: 13
• H-Bond Acceptors: 29
• Rotatable Bonds: 20
• Heavy Atoms: 152
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2065.14
LogP ≤ 5	18.45
H-Bond Donors ≤ 5	13
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The IUPAC name of N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide (CID 158941869) is N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide.

What is the SMILES notation for N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The canonical SMILES for N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is CCc1ncccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.CNC(=O)Nc1cc2cc(-c3cnn(C)c3)nc(N)c2cn1.COc1ccccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.Cc1ccccc1-c1cc2cc(NC(=O)C3CC3(F)F)ncc2c(N)n1.Cc1ncccc1-c1cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc2c(N)n1.Nc1nc(-c2ccccc2C(F)F)cc2cc(NC(=O)[C@@H]3C[C@@H]3F)ncc12.

What is the InChIKey of N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

The InChIKey is JKIUUDXJVKQKFZ-IXJDWZDTSA-N. The full InChI is InChI=1S/C19H15F3N4O.C19H16F2N4O.C19H18FN5O.C19H17FN4O2.C18H16FN5O.C14H15N7O/c20-14-7-12(14)19(27)26-16-6-9-5-15(25-18(23)13(9)8-24-16)10-3-1-2-4-11(10)17(21)22;1-10-4-2-3-5-12(10)15-6-11-7-16(23-9-13(11)17(22)24-15)25-18(26)14-8-19(14,20)21;1-2-15-11(4-3-5-22-15)16-6-10-7-17(23-9-13(10)18(21)24-16)25-19(26)12-8-14(12)20;1-26-16-5-3-2-4-11(16)15-6-10-7-17(22-9-13(10)18(21)23-15)24-19(25)12-8-14(12)20;1-9-11(3-2-4-21-9)15-5-10-6-16(22-8-13(10)17(20)23-15)24-18(25)12-7-14(12)19;1-16-14(22)20-12-4-8-3-11(9-5-18-21(2)7-9)19-13(15)10(8)6-17-12/h1-6,8,12,14,17H,7H2,(H2,23,25)(H,24,26,27);2-7,9,14H,8H2,1H3,(H2,22,24)(H,23,25,26);3-7,9,12,14H,2,8H2,1H3,(H2,21,24)(H,23,25,26);2-7,9,12,14H,8H2,1H3,(H2,21,23)(H,22,24,25);2-6,8,12,14H,7H2,1H3,(H2,20,23)(H,22,24,25);3-7H,1-2H3,(H2,15,19)(H2,16,17,20,22)/t12-,14+;;3*12-,14+;/m1.111./s1.

What are the key properties of N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide?

N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide has a molecular weight of 2065.14 g/mol, XLogP of 18.45, 20 rotatable bonds, 13 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-amino-6-(2-methylphenyl)-2,7-naphthyridin-3-yl]-2,2-difluorocyclopropane-1-carboxamide;1-[8-amino-6-(1-methylpyrazol-4-yl)-2,7-naphthyridin-3-yl]-3-methylurea;cis-(1S,2S)-N-[8-amino-6-[2-(difluoromethyl)phenyl]-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-ethyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methoxyphenyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide;cis-(1S,2S)-N-[8-amino-6-(2-methyl-3-pyridinyl)-2,7-naphthyridin-3-yl]-2-fluorocyclopropane-1-carboxamide is sourced from PubChem (CID 158941869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).