1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

C102H139N19O8 — CID 158875378

About 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide

1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 158875378) has the molecular formula C102H139N19O8 and a molecular weight of 1759.36 g/mol. Its IUPAC name is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-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-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
• PubChem CID: 158875378
• Molecular Formula: C102H139N19O8
• Molecular Weight: 1759.36 g/mol
• Exact Mass: 1758.11
• IUPAC Name: 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide
• SMILES: CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1COc2ccccc21.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cnn2ccccc12.Cc1cc(C)c(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)cn1.Cc1ccc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c(C)n1.Cc1cccn2c(C3(NC(=O)C4[C@H]5CNC[C@@H]45)CCOCC3)ncc12.Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2c1CCCC2
• InChI: InChI=1S/C19H24N4O2.C17H26N4O.C17H22N2O2.C17H24N2O.C16H20N4O.C16H23N3O/c1-12-3-2-6-23-15(12)11-21-18(23)19(4-7-25-8-5-19)22-17(24)16-13-9-20-10-14(13)16;1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15;1-17(2,13-9-21-14-6-4-3-5-10(13)14)19-16(20)15-11-7-18-8-12(11)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(2,12-9-18-20-6-4-3-5-13(12)20)19-15(21)14-10-7-17-8-11(10)14;1-9-5-6-13(10(2)18-9)16(3,4)19-15(20)14-11-7-17-8-12(11)14/h2-3,6,11,13-14,16,20H,4-5,7-10H2,1H3,(H,22,24);11-12,14,18H,4-9H2,1-3H3,(H,19,22);3-6,11-13,15,18H,7-9H2,1-2H3,(H,19,20);5,9,12-13,16,18H,6-8H2,1-4H3;3-6,9-11,14,17H,7-8H2,1-2H3,(H,19,21);5-6,11-12,14,17H,7-8H2,1-4H3,(H,19,20)/t13-,14+,16?;11-,12+,14?;11-,12+,13?,15?;12-,13+,16?;10-,11+,14?;11-,12+,14?
• InChIKey: JCJDCBNOPOCDKL-RHSXCVGLSA-N
• XLogP: 8.94
• TPSA: 331.41 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 129
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1759.36
LogP ≤ 5	8.94
H-Bond Donors ≤ 5	11
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-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-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-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 158875378) is 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-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-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-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-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)C1COc2ccccc21.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1cnn2ccccc12.Cc1cc(C)c(C(C)(C)CC(=O)C2[C@H]3CNC[C@@H]23)cn1.Cc1ccc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c(C)n1.Cc1cccn2c(C3(NC(=O)C4[C@H]5CNC[C@@H]45)CCOCC3)ncc12.Cn1nc(C(C)(C)NC(=O)C2[C@H]3CNC[C@@H]23)c2c1CCCC2.

What is the InChIKey of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?

The InChIKey is JCJDCBNOPOCDKL-RHSXCVGLSA-N. The full InChI is InChI=1S/C19H24N4O2.C17H26N4O.C17H22N2O2.C17H24N2O.C16H20N4O.C16H23N3O/c1-12-3-2-6-23-15(12)11-21-18(23)19(4-7-25-8-5-19)22-17(24)16-13-9-20-10-14(13)16;1-17(2,19-16(22)14-11-8-18-9-12(11)14)15-10-6-4-5-7-13(10)21(3)20-15;1-17(2,13-9-21-14-6-4-3-5-10(13)14)19-16(20)15-11-7-18-8-12(11)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(2,12-9-18-20-6-4-3-5-13(12)20)19-15(21)14-10-7-17-8-11(10)14;1-9-5-6-13(10(2)18-9)16(3,4)19-15(20)14-11-7-17-8-12(11)14/h2-3,6,11,13-14,16,20H,4-5,7-10H2,1H3,(H,22,24);11-12,14,18H,4-9H2,1-3H3,(H,19,22);3-6,11-13,15,18H,7-9H2,1-2H3,(H,19,20);5,9,12-13,16,18H,6-8H2,1-4H3;3-6,9-11,14,17H,7-8H2,1-2H3,(H,19,21);5-6,11-12,14,17H,7-8H2,1-4H3,(H,19,20)/t13-,14+,16?;11-,12+,14?;11-,12+,13?,15?;12-,13+,16?;10-,11+,14?;11-,12+,14?.

What are the key properties of 1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide?

1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 1759.36 g/mol, XLogP of 8.94, 19 rotatable bonds, 11 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-(4,6-dimethyl-3-pyridinyl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,3-dihydro-1-benzofuran-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2,6-dimethyl-3-pyridinyl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[4-(8-methylimidazo[1,5-a]pyridin-3-yl)oxan-4-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methyl-4,5,6,7-tetrahydroindazol-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-(2-pyrazolo[1,5-a]pyridin-3-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 158875378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).