1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide

C113H161N17O8 — CID 158766221

About 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[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-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 158766221) has the molecular formula C113H161N17O8 and a molecular weight of 1885.64 g/mol. Its IUPAC name is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[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-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 158766221
• Molecular Formula: C113H161N17O8
• Molecular Weight: 1885.64 g/mol
• Exact Mass: 1884.27
• IUPAC Name: 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
• SMILES: C.C.C.C.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCOc2ccccc21.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2n1CCCC2.Cc1cc(C)c(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)cn1.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)ccc12.Cc1cccn2c(C(C)(CC(=O)C3[C@H]4CNC[C@@H]34)C3CC3)ncc12.Cc1cccn2c(C3(NC(=O)C4[C@H]5CNC[C@@H]45)CCOCC3)ncc12
• InChI: InChI=1S/C20H25N3O.C19H24N4O2.C19H24N2O.C18H24N2O2.C17H24N2O.C16H24N4O.4CH4/c1-12-4-3-7-23-16(12)11-22-19(23)20(2,13-5-6-13)8-17(24)18-14-9-21-10-15(14)18;1-12-3-2-6-23-15(12)11-21-18(23)19(4-7-25-8-5-19)22-17(24)16-13-9-20-10-14(13)16;1-12-5-4-8-21-15(12)6-7-17(21)19(2,3)9-16(22)18-13-10-20-11-14(13)18;1-18(2,20-17(21)16-12-9-19-10-13(12)16)14-7-8-22-15-6-4-3-5-11(14)15;1-10-5-11(2)19-9-14(10)17(3,4)6-15(20)16-12-7-18-8-13(12)16;1-16(2,15-18-7-10-5-3-4-6-20(10)15)19-14(21)13-11-8-17-9-12(11)13;;;;/h3-4,7,11,13-15,18,21H,5-6,8-10H2,1-2H3;2-3,6,11,13-14,16,20H,4-5,7-10H2,1H3,(H,22,24);4-8,13-14,18,20H,9-11H2,1-3H3;3-6,12-14,16,19H,7-10H2,1-2H3,(H,20,21);5,9,12-13,16,18H,6-8H2,1-4H3;7,11-13,17H,3-6,8-9H2,1-2H3,(H,19,21);4*1H4/t14-,15+,18?,20?;13-,14+,16?;13-,14+,18?;12-,13+,14?,16?;12-,13+,16?;11-,12+,13?
• InChIKey: IPHHGLLUYCCSLQ-BCHHSTBESA-N
• XLogP: 14.81
• TPSA: 298.87 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 22
• Rotatable Bonds: 22
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1885.64
LogP ≤ 5	14.81
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[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-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 158766221) is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[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-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[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-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is C.C.C.C.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1CCOc2ccccc21.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2n1CCCC2.Cc1cc(C)c(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)cn1.Cc1cccn2c(C(C)(C)CC(=O)C3[C@H]4CNC[C@@H]34)ccc12.Cc1cccn2c(C(C)(CC(=O)C3[C@H]4CNC[C@@H]34)C3CC3)ncc12.Cc1cccn2c(C3(NC(=O)C4[C@H]5CNC[C@@H]45)CCOCC3)ncc12.

What is the InChIKey of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is IPHHGLLUYCCSLQ-BCHHSTBESA-N. The full InChI is InChI=1S/C20H25N3O.C19H24N4O2.C19H24N2O.C18H24N2O2.C17H24N2O.C16H24N4O.4CH4/c1-12-4-3-7-23-16(12)11-22-19(23)20(2,13-5-6-13)8-17(24)18-14-9-21-10-15(14)18;1-12-3-2-6-23-15(12)11-21-18(23)19(4-7-25-8-5-19)22-17(24)16-13-9-20-10-14(13)16;1-12-5-4-8-21-15(12)6-7-17(21)19(2,3)9-16(22)18-13-10-20-11-14(13)18;1-18(2,20-17(21)16-12-9-19-10-13(12)16)14-7-8-22-15-6-4-3-5-11(14)15;1-10-5-11(2)19-9-14(10)17(3,4)6-15(20)16-12-7-18-8-13(12)16;1-16(2,15-18-7-10-5-3-4-6-20(10)15)19-14(21)13-11-8-17-9-12(11)13;;;;/h3-4,7,11,13-15,18,21H,5-6,8-10H2,1-2H3;2-3,6,11,13-14,16,20H,4-5,7-10H2,1H3,(H,22,24);4-8,13-14,18,20H,9-11H2,1-3H3;3-6,12-14,16,19H,7-10H2,1-2H3,(H,20,21);5,9,12-13,16,18H,6-8H2,1-4H3;7,11-13,17H,3-6,8-9H2,1-2H3,(H,19,21);4*1H4/t14-,15+,18?,20?;13-,14+,16?;13-,14+,18?;12-,13+,14?,16?;12-,13+,16?;11-,12+,13?;;;;.

What are the key properties of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[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-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1885.64 g/mol, XLogP of 14.81, 22 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-cyclopropyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)butan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-methyl-3-(8-methylindolizin-3-yl)butan-1-one;(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;methane;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 158766221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).