1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C107H132F2N22O7 — CID 162111535

About 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 162111535) has the molecular formula C107H132F2N22O7 and a molecular weight of 1876.38 g/mol. Its IUPAC name is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

• Compound Name: 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 162111535
• Molecular Formula: C107H132F2N22O7
• Molecular Weight: 1876.38 g/mol
• Exact Mass: 1875.06
• IUPAC Name: 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[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)nc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccc(F)cn12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2cccc(F)n12.COc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)ncc12.Cc1cc2nc(C)ccc2c(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)nnc12
• InChI: InChI=1S/C21H25N3O.C19H24N4O.C18H23N3O2.C17H22N4O.2C16H19FN4O/c1-21(2,9-17(25)18-14-10-22-11-15(14)18)19-13-5-3-4-6-16(13)23-20(24-19)12-7-8-12;1-10-5-6-12-15(21-10)7-11(2)22-17(12)19(3,4)23-18(24)16-13-8-20-9-14(13)16;1-18(2,7-14(22)16-11-8-19-9-12(11)16)17-20-10-13-15(23-3)5-4-6-21(13)17;1-10-5-4-6-21-15(10)19-20-16(21)17(2,3)7-13(22)14-11-8-18-9-12(11)14;1-16(2,20-14(22)13-11-6-18-7-12(11)13)15-19-5-10-4-3-9(17)8-21(10)15;1-16(2,20-14(22)13-10-7-18-8-11(10)13)15-19-6-9-4-3-5-12(17)21(9)15/h3-6,12,14-15,18,22H,7-11H2,1-2H3;5-7,13-14,16,20H,8-9H2,1-4H3,(H,23,24);4-6,10-12,16,19H,7-9H2,1-3H3;4-6,11-12,14,18H,7-9H2,1-3H3;3-5,8,11-13,18H,6-7H2,1-2H3,(H,20,22);3-6,10-11,13,18H,7-8H2,1-2H3,(H,20,22)/t14-,15+,18?;13-,14+,16?;11-,12+,16?;11-,12+,14?;11-,12+,13?;10-,11+,13?
• InChIKey: ZGFFFNQZDVJXTP-SNUAXITRSA-N
• XLogP: 11.64
• TPSA: 353.57 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 26
• Rotatable Bonds: 23
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1876.38
LogP ≤ 5	11.64
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The IUPAC name of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 162111535) is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

What is the SMILES notation for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The canonical SMILES for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[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)nc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2ccc(F)cn12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2cccc(F)n12.COc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)ncc12.Cc1cc2nc(C)ccc2c(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n1.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)nnc12.

What is the InChIKey of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is ZGFFFNQZDVJXTP-SNUAXITRSA-N. The full InChI is InChI=1S/C21H25N3O.C19H24N4O.C18H23N3O2.C17H22N4O.2C16H19FN4O/c1-21(2,9-17(25)18-14-10-22-11-15(14)18)19-13-5-3-4-6-16(13)23-20(24-19)12-7-8-12;1-10-5-6-12-15(21-10)7-11(2)22-17(12)19(3,4)23-18(24)16-13-8-20-9-14(13)16;1-18(2,7-14(22)16-11-8-19-9-12(11)16)17-20-10-13-15(23-3)5-4-6-21(13)17;1-10-5-4-6-21-15(10)19-20-16(21)17(2,3)7-13(22)14-11-8-18-9-12(11)14;1-16(2,20-14(22)13-11-6-18-7-12(11)13)15-19-5-10-4-3-9(17)8-21(10)15;1-16(2,20-14(22)13-10-7-18-8-11(10)13)15-19-6-9-4-3-5-12(17)21(9)15/h3-6,12,14-15,18,22H,7-11H2,1-2H3;5-7,13-14,16,20H,8-9H2,1-4H3,(H,23,24);4-6,10-12,16,19H,7-9H2,1-3H3;4-6,11-12,14,18H,7-9H2,1-3H3;3-5,8,11-13,18H,6-7H2,1-2H3,(H,20,22);3-6,10-11,13,18H,7-8H2,1-2H3,(H,20,22)/t14-,15+,18?;13-,14+,16?;11-,12+,16?;11-,12+,14?;11-,12+,13?;10-,11+,13?.

What are the key properties of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1876.38 g/mol, XLogP of 11.64, 23 rotatable bonds, 9 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)butan-1-one;(1S,5R)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(6-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 162111535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).