1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C110H134ClF3N20O7 — CID 161268001

About 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-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-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 161268001) has the molecular formula C110H134ClF3N20O7 and a molecular weight of 1940.86 g/mol. Its IUPAC name is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-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-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 161268001
• Molecular Formula: C110H134ClF3N20O7
• Molecular Weight: 1940.86 g/mol
• Exact Mass: 1939.04
• IUPAC Name: 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-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)c1ncnc2c(Cl)cccc12.COc1ccn2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)nc(C)c2c1.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(F)c2n1.Cc1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2cccc(F)c12
• InChI: InChI=1S/C20H24FN3O.C19H22FN3O.C18H20ClN3O.C18H24N4O2.C18H23N3O.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;1-10-22-17-11(5-4-6-14(17)20)18(23-10)19(2,3)7-15(24)16-12-8-21-9-13(12)16;1-18(2,6-14(23)15-11-7-20-8-12(11)15)17-10-4-3-5-13(19)16(10)21-9-22-17;1-10-14-7-11(24-4)5-6-22(14)17(20-10)18(2,3)21-16(23)15-12-8-19-9-13(12)15;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;1-9-14-12(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;4-6,12-13,16,21H,7-9H2,1-3H3;3-5,9,11-12,15,20H,6-8H2,1-2H3;5-7,12-13,15,19H,8-9H2,1-4H3,(H,21,23);4-6,10,12-13,16,19H,7-9H2,1-3H3;4-6,10-11,13,19H,7-8H2,1-3H3,(H,21,23)/t2*12-,13+,16?;11-,12+,15?;12-,13+,15?;12-,13+,16?;10-,11+,13?
• InChIKey: VDLBWWZVZHBAID-YCRUYQPWSA-N
• XLogP: 14.23
• TPSA: 328.65 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 25
• Rotatable Bonds: 24
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1940.86
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	8
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-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-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-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 161268001) is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-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-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-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-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-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)c1ncnc2c(Cl)cccc12.COc1ccn2c(C(C)(C)NC(=O)C3[C@H]4CNC[C@@H]34)nc(C)c2c1.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(F)c2n1.Cc1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)n2cccc(F)c12.

What is the InChIKey of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is VDLBWWZVZHBAID-YCRUYQPWSA-N. The full InChI is InChI=1S/C20H24FN3O.C19H22FN3O.C18H20ClN3O.C18H24N4O2.C18H23N3O.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;1-10-22-17-11(5-4-6-14(17)20)18(23-10)19(2,3)7-15(24)16-12-8-21-9-13(12)16;1-18(2,6-14(23)15-11-7-20-8-12(11)15)17-10-4-3-5-13(19)16(10)21-9-22-17;1-10-14-7-11(24-4)5-6-22(14)17(20-10)18(2,3)21-16(23)15-12-8-19-9-13(12)15;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;1-9-14-12(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;4-6,12-13,16,21H,7-9H2,1-3H3;3-5,9,11-12,15,20H,6-8H2,1-2H3;5-7,12-13,15,19H,8-9H2,1-4H3,(H,21,23);4-6,10,12-13,16,19H,7-9H2,1-3H3;4-6,10-11,13,19H,7-8H2,1-3H3,(H,21,23)/t2*12-,13+,16?;11-,12+,15?;12-,13+,15?;12-,13+,16?;10-,11+,13?.

What are the key properties of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-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-(8-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1940.86 g/mol, XLogP of 14.23, 24 rotatable bonds, 8 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-chloroquinazolin-4-yl)-3-methylbutan-1-one;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-(8-fluoro-2-methylquinazolin-4-yl)-3-methylbutan-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;(1R,5S)-N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(7-methoxy-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 161268001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).