1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C111H136F5N19O7 — CID 161125514

About 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 161125514) has the molecular formula C111H136F5N19O7 and a molecular weight of 1943.42 g/mol. Its IUPAC name is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

• Compound Name: 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 161125514
• Molecular Formula: C111H136F5N19O7
• Molecular Weight: 1943.42 g/mol
• Exact Mass: 1942.08
• IUPAC Name: 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• SMILES: CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C2CC2)c2c(F)cccn12.CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(OC(F)(F)F)cccn12.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)cnc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2cccc(C)c2n1.Cc1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2cccc(F)c12.Cc1nc2ccccn2c1C(C)(C)CC(=O)C1[C@H]2CNC[C@@H]12
• InChI: InChI=1S/C20H24FN3O.C20H25N3O.C18H20F3N3O2.2C18H23N3O.C17H21FN4O/c1-20(2,8-15(25)16-12-9-22-10-13(12)16)19-23-17(11-5-6-11)18-14(21)4-3-7-24(18)19;1-11-6-5-7-13-18(11)22-12(2)23-19(13)20(3,4)8-16(24)17-14-9-21-10-15(14)17;1-17(2,6-13(25)15-10-7-22-8-11(10)15)16-23-9-12-14(26-18(19,20)21)4-3-5-24(12)16;1-11-5-4-6-21-15(10-20-17(11)21)18(2,3)7-14(22)16-12-8-19-9-13(12)16;1-11-17(21-7-5-4-6-15(21)20-11)18(2,3)8-14(22)16-12-9-19-10-13(12)16;1-9-14-12(18)5-4-6-22(14)16(20-9)17(2,3)21-15(23)13-10-7-19-8-11(10)13/h3-4,7,11-13,16,22H,5-6,8-10H2,1-2H3;5-7,14-15,17,21H,8-10H2,1-4H3;3-5,9-11,15,22H,6-8H2,1-2H3;4-6,10,12-13,16,19H,7-9H2,1-3H3;4-7,12-13,16,19H,8-10H2,1-3H3;4-6,10-11,13,19H,7-8H2,1-3H3,(H,21,23)/t12-,13+,16?;14-,15+,17?;10-,11+,15?;2*12-,13+,16?;10-,11+,13?
• InChIKey: ULMVXVXEBBAUDW-CIFXQWINSA-N
• XLogP: 15.23
• TPSA: 308.14 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 25
• Rotatable Bonds: 25
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1943.42
LogP ≤ 5	15.23
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The IUPAC name of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 161125514) is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

What is the SMILES notation for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The canonical SMILES for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C2CC2)c2c(F)cccn12.CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(OC(F)(F)F)cccn12.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)cnc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2cccc(C)c2n1.Cc1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2cccc(F)c12.Cc1nc2ccccn2c1C(C)(C)CC(=O)C1[C@H]2CNC[C@@H]12.

What is the InChIKey of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is ULMVXVXEBBAUDW-CIFXQWINSA-N. The full InChI is InChI=1S/C20H24FN3O.C20H25N3O.C18H20F3N3O2.2C18H23N3O.C17H21FN4O/c1-20(2,8-15(25)16-12-9-22-10-13(12)16)19-23-17(11-5-6-11)18-14(21)4-3-7-24(18)19;1-11-6-5-7-13-18(11)22-12(2)23-19(13)20(3,4)8-16(24)17-14-9-21-10-15(14)17;1-17(2,6-13(25)15-10-7-22-8-11(10)15)16-23-9-12-14(26-18(19,20)21)4-3-5-24(12)16;1-11-5-4-6-21-15(10-20-17(11)21)18(2,3)7-14(22)16-12-8-19-9-13(12)16;1-11-17(21-7-5-4-6-15(21)20-11)18(2,3)8-14(22)16-12-9-19-10-13(12)16;1-9-14-12(18)5-4-6-22(14)16(20-9)17(2,3)21-15(23)13-10-7-19-8-11(10)13/h3-4,7,11-13,16,22H,5-6,8-10H2,1-2H3;5-7,14-15,17,21H,8-10H2,1-4H3;3-5,9-11,15,22H,6-8H2,1-2H3;4-6,10,12-13,16,19H,7-9H2,1-3H3;4-7,12-13,16,19H,8-10H2,1-3H3;4-6,10-11,13,19H,7-8H2,1-3H3,(H,21,23)/t12-,13+,16?;14-,15+,17?;10-,11+,15?;2*12-,13+,16?;10-,11+,13?.

What are the key properties of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1943.42 g/mol, XLogP of 15.23, 25 rotatable bonds, 7 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2,8-dimethylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylimidazo[1,2-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]butan-1-one;(1S,5R)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 161125514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).