(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

C93H93F8N17O7 — CID 162252457

About (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one

(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (PubChem CID 162252457) has the molecular formula C93H93F8N17O7 and a molecular weight of 1712.86 g/mol. Its IUPAC name is (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

Molecular Properties

• Compound Name: (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• PubChem CID: 162252457
• Molecular Formula: C93H93F8N17O7
• Molecular Weight: 1712.86 g/mol
• Exact Mass: 1711.73
• IUPAC Name: (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one
• SMILES: C[C@@H]1CC[C@@H](c2cccc(F)c2F)C(=O)c2cccnc21.C[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21.N[C@@H]1c2cccnc2[C@H](O)CC[C@H]1c1cccc(F)c1F.N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.O=C(N1CCC(n2c(=O)[nH]c3ncccc32)CC1)n1ccnc1
• InChI: InChI=1S/C28H28F2N6O3.C17H18F2N2.C17H15F2NO.C16H16F2N2O.C15H16N6O2/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37;1-10-7-8-12(11-4-2-6-14(18)15(11)19)16(20)13-5-3-9-21-17(10)13;1-10-7-8-12(11-4-2-6-14(18)15(11)19)17(21)13-5-3-9-20-16(10)13;17-12-5-1-3-9(14(12)18)10-6-7-13(21)16-11(15(10)19)4-2-8-20-16;22-14-18-13-12(2-1-5-17-13)21(14)11-3-7-19(8-4-11)15(23)20-9-6-16-10-20/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37);2-6,9-10,12,16H,7-8,20H2,1H3;2-6,9-10,12H,7-8H2,1H3;1-5,8,10,13,15,21H,6-7,19H2;1-2,5-6,9-11H,3-4,7-8H2,(H,17,18,22)/t18-,22+,24-;10-,12+,16+;10-,12+;10-,13+,15-;/m0110./s1
• InChIKey: ZYDXHZRKLLEOSW-FNRFRYDPSA-N
• XLogP: 16.95
• TPSA: 335.95 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 20
• Rotatable Bonds: 7
• Heavy Atoms: 125
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1712.86
LogP ≤ 5	16.95
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The IUPAC name of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one (CID 162252457) is (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one.

What is the SMILES notation for (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The canonical SMILES for (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is C[C@@H]1CC[C@@H](c2cccc(F)c2F)C(=O)c2cccnc21.C[C@@H]1CC[C@@H](c2cccc(F)c2F)[C@H](N)c2cccnc21.N[C@@H]1c2cccnc2[C@H](O)CC[C@H]1c1cccc(F)c1F.N[C@@H]1c2cccnc2[C@H](OC(=O)N2CCC(n3c(=O)[nH]c4ncccc43)CC2)CC[C@H]1c1cccc(F)c1F.O=C(N1CCC(n2c(=O)[nH]c3ncccc32)CC1)n1ccnc1.

What is the InChIKey of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

The InChIKey is ZYDXHZRKLLEOSW-FNRFRYDPSA-N. The full InChI is InChI=1S/C28H28F2N6O3.C17H18F2N2.C17H15F2NO.C16H16F2N2O.C15H16N6O2/c29-20-6-1-4-17(23(20)30)18-8-9-22(25-19(24(18)31)5-2-12-32-25)39-28(38)35-14-10-16(11-15-35)36-21-7-3-13-33-26(21)34-27(36)37;1-10-7-8-12(11-4-2-6-14(18)15(11)19)16(20)13-5-3-9-21-17(10)13;1-10-7-8-12(11-4-2-6-14(18)15(11)19)17(21)13-5-3-9-20-16(10)13;17-12-5-1-3-9(14(12)18)10-6-7-13(21)16-11(15(10)19)4-2-8-20-16;22-14-18-13-12(2-1-5-17-13)21(14)11-3-7-19(8-4-11)15(23)20-9-6-16-10-20/h1-7,12-13,16,18,22,24H,8-11,14-15,31H2,(H,33,34,37);2-6,9-10,12,16H,7-8,20H2,1H3;2-6,9-10,12H,7-8H2,1H3;1-5,8,10,13,15,21H,6-7,19H2;1-2,5-6,9-11H,3-4,7-8H2,(H,17,18,22)/t18-,22+,24-;10-,12+,16+;10-,12+;10-,13+,15-;/m0110./s1.

What are the key properties of (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one?

(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one has a molecular weight of 1712.86 g/mol, XLogP of 16.95, 7 rotatable bonds, 6 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for (5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-ol;[(5S,6S,9R)-5-amino-6-(2,3-difluorophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-9-yl] 4-(2-oxo-3H-imidazo[4,5-b]pyridin-1-yl)piperidine-1-carboxylate;(5S,6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridin-5-amine;(6S,9R)-6-(2,3-difluorophenyl)-9-methyl-6,7,8,9-tetrahydrocyclohepta[b]pyridin-5-one;1-[1-(imidazole-1-carbonyl)piperidin-4-yl]-3H-imidazo[4,5-b]pyridin-2-one is sourced from PubChem (CID 162252457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).