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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C106H126F5N21O7 — CID 159841028

About 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 159841028) has the molecular formula C106H126F5N21O7 and a molecular weight of 1901.30 g/mol. Its IUPAC name is 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

• Compound Name: 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 159841028
• Molecular Formula: C106H126F5N21O7
• Molecular Weight: 1901.30 g/mol
• Exact Mass: 1900.01
• IUPAC Name: 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• SMILES: CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C(F)(F)F)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.Cc1cccn2c(C3(NC(=O)C4[C@H]5CNC[C@@H]45)CCC3)ncc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc2n1
• InChI: InChI=1S/C19H20F3N3O.C19H23N3O.C18H22N4O.C18H23N3O2.2C16H19FN4O/c1-18(2,7-14(26)15-11-8-23-9-12(11)15)16-10-5-3-4-6-13(10)24-17(25-16)19(20,21)22;1-11-21-15-7-5-4-6-12(15)18(22-11)19(2,3)8-16(23)17-13-9-20-10-14(13)17;1-11-4-2-7-22-14(11)10-20-17(22)18(5-3-6-18)21-16(23)15-12-8-19-9-13(12)15;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;1-16(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/h3-6,11-12,15,23H,7-9H2,1-2H3;4-7,13-14,17,20H,8-10H2,1-3H3;2,4,7,10,12-13,15,19H,3,5-6,8-9H2,1H3,(H,21,23);4-6,10-12,16,19H,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)/t11-,12+,15?;13-,14+,17?;12-,13+,15?;11-,12+,16?;11-,12+,13?;10-,11+,13?
• InChIKey: NORHJGPTBNOOQE-AJVKUUQHSA-N
• XLogP: 12.22
• TPSA: 340.68 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 139
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.30
LogP ≤ 5	12.22
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The IUPAC name of 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 159841028) is 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-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-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The canonical SMILES for 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C(F)(F)F)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.Cc1cccn2c(C3(NC(=O)C4[C@H]5CNC[C@@H]45)CCC3)ncc12.Cc1nc(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)c2ccccc2n1.

What is the InChIKey of 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is NORHJGPTBNOOQE-AJVKUUQHSA-N. The full InChI is InChI=1S/C19H20F3N3O.C19H23N3O.C18H22N4O.C18H23N3O2.2C16H19FN4O/c1-18(2,7-14(26)15-11-8-23-9-12(11)15)16-10-5-3-4-6-13(10)24-17(25-16)19(20,21)22;1-11-21-15-7-5-4-6-12(15)18(22-11)19(2,3)8-16(23)17-13-9-20-10-14(13)17;1-11-4-2-7-22-14(11)10-20-17(22)18(5-3-6-18)21-16(23)15-12-8-19-9-13(12)15;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;1-16(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/h3-6,11-12,15,23H,7-9H2,1-2H3;4-7,13-14,17,20H,8-10H2,1-3H3;2,4,7,10,12-13,15,19H,3,5-6,8-9H2,1H3,(H,21,23);4-6,10-12,16,19H,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)/t11-,12+,15?;13-,14+,17?;12-,13+,15?;11-,12+,16?;11-,12+,13?;10-,11+,13?.

What are the key properties of 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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

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-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1901.30 g/mol, XLogP of 12.22, 22 rotatable bonds, 9 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-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(2-methylquinazolin-4-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-[2-(trifluoromethyl)quinazolin-4-yl]butan-1-one;(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;(1S,5R)-N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 159841028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).