(3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone

C114H97F3N18O11S — CID 157403392

About (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone

(3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone (PubChem CID 157403392) has the molecular formula C114H97F3N18O11S and a molecular weight of 1984.21 g/mol. Its IUPAC name is (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone.

Molecular Properties

• Compound Name: (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone
• PubChem CID: 157403392
• Molecular Formula: C114H97F3N18O11S
• Molecular Weight: 1984.21 g/mol
• Exact Mass: 1982.73
• IUPAC Name: (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone
• SMILES: CNC(=O)C1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1occc1CCc1ccc2nccnc2c1.CNC(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1ncsc1CCc1ccc2nccnc2c1.CNC(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1occc1CCc1ccc2c(c1)=NCN=2.O=C(c1occc1CCc1ccc2nccnc2c1)N1CC2=C(C[C@@H]1c1nnco1)c1ccccc1C2
• InChI: InChI=1S/C29H25FN4O3.C29H23N5O3.C28H24FN5O2S.C28H25FN4O3/c1-31-28(35)25-15-21-20(14-19-3-2-4-22(30)26(19)21)16-34(25)29(36)27-18(9-12-37-27)7-5-17-6-8-23-24(13-17)33-11-10-32-23;35-29(27-19(9-12-36-27)7-5-18-6-8-24-25(13-18)31-11-10-30-24)34-16-21-14-20-3-1-2-4-22(20)23(21)15-26(34)28-33-32-17-37-28;1-30-27(35)23-13-19-18(12-17-3-2-4-20(29)25(17)19)14-34(23)28(36)26-24(37-15-33-26)8-6-16-5-7-21-22(11-16)32-10-9-31-21;1-30-27(34)24-13-20-19(12-18-3-2-4-21(29)25(18)20)14-33(24)28(35)26-17(9-10-36-26)7-5-16-6-8-22-23(11-16)32-15-31-22/h2-4,6,8-13,25H,5,7,14-16H2,1H3,(H,31,35);1-4,6,8-13,17,26H,5,7,14-16H2;2-5,7,9-11,15,23H,6,8,12-14H2,1H3,(H,30,35);2-4,6,8-11,24H,5,7,12-15H2,1H3,(H,30,34)/t;26-;23-;24-/m.111/s1
• InChIKey: BNKZDLXKENSXFY-ZDYDWGBVSA-N
• XLogP: 15.47
• TPSA: 361.83 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 20
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1984.21
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone?

The IUPAC name of (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone (CID 157403392) is (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone.

What is the SMILES notation for (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone?

The canonical SMILES for (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone is CNC(=O)C1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1occc1CCc1ccc2nccnc2c1.CNC(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1ncsc1CCc1ccc2nccnc2c1.CNC(=O)[C@H]1CC2=C(Cc3cccc(F)c32)CN1C(=O)c1occc1CCc1ccc2c(c1)=NCN=2.O=C(c1occc1CCc1ccc2nccnc2c1)N1CC2=C(C[C@@H]1c1nnco1)c1ccccc1C2.

What is the InChIKey of (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone?

The InChIKey is BNKZDLXKENSXFY-ZDYDWGBVSA-N. The full InChI is InChI=1S/C29H25FN4O3.C29H23N5O3.C28H24FN5O2S.C28H25FN4O3/c1-31-28(35)25-15-21-20(14-19-3-2-4-22(30)26(19)21)16-34(25)29(36)27-18(9-12-37-27)7-5-17-6-8-23-24(13-17)33-11-10-32-23;35-29(27-19(9-12-36-27)7-5-18-6-8-24-25(13-18)31-11-10-30-24)34-16-21-14-20-3-1-2-4-22(20)23(21)15-26(34)28-33-32-17-37-28;1-30-27(35)23-13-19-18(12-17-3-2-4-20(29)25(17)19)14-34(23)28(36)26-24(37-15-33-26)8-6-16-5-7-21-22(11-16)32-10-9-31-21;1-30-27(34)24-13-20-19(12-18-3-2-4-21(29)25(18)20)14-33(24)28(35)26-17(9-10-36-26)7-5-16-6-8-22-23(11-16)32-15-31-22/h2-4,6,8-13,25H,5,7,14-16H2,1H3,(H,31,35);1-4,6,8-13,17,26H,5,7,14-16H2;2-5,7,9-11,15,23H,6,8,12-14H2,1H3,(H,30,35);2-4,6,8-11,24H,5,7,12-15H2,1H3,(H,30,34)/t;26-;23-;24-/m.111/s1.

What are the key properties of (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone?

(3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone has a molecular weight of 1984.21 g/mol, XLogP of 15.47, 20 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-2-[3-[2-(2H-benzimidazol-5-yl)ethyl]furan-2-carbonyl]-5-fluoro-N-methyl-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;5-fluoro-N-methyl-2-[3-(2-quinoxalin-6-ylethyl)furan-2-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;(3R)-5-fluoro-N-methyl-2-[5-(2-quinoxalin-6-ylethyl)-1,3-thiazole-4-carbonyl]-1,3,4,9-tetrahydroindeno[2,1-c]pyridine-3-carboxamide;[(3R)-3-(1,3,4-oxadiazol-2-yl)-1,3,4,9-tetrahydroindeno[2,1-c]pyridin-2-yl]-[3-(2-quinoxalin-6-ylethyl)furan-2-yl]methanone is sourced from PubChem (CID 157403392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).