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

C123H147F7N26O8 — CID 161193496

IUPAC1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C2CC2)nc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C(F)(F)F)c2c(F)cccn12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(F)cccn12.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
InChIInChI=1S/C21H25N3O.C19H24N4O.C18H23N3O2.C17H18F4N4O.3C16H19FN4O/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;1-16(2,24-14(26)11-8-6-22-7-9(8)11)15-23-13(17(19,20)21)12-10(18)4-3-5-25(12)15;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)13-9-6-18-7-10(9)13)15-19-8-12-11(17)4-3-5-21(12)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;3-5,8-9,11,22H,6-7H2,1-2H3,(H,24,26);3-5,8,11-13,18H,6-7H2,1-2H3,(H,20,22);3-5,8-10,13,18H,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?;8-,9+,11?;11-,12+,13?;9-,10+,13?;10-,11+,13?
InChIKeyUUANXGBJGZTSNC-LTQIXFTISA-N
MW2250.69 g/mol
LogP13.50
Rot. Bonds25

About 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[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-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (PubChem CID 161193496) has the molecular formula C123H147F7N26O8 and a molecular weight of 2250.69 g/mol. Its IUPAC name is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide.

Molecular Properties

Compound Name1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
PubChem CID161193496
Molecular FormulaC123H147F7N26O8
Molecular Weight2250.69 g/mol
Exact Mass2249.18
IUPAC Name1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
SMILESCC(C)(CC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C2CC2)nc2ccccc12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1nc(C(F)(F)F)c2c(F)cccn12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(F)cccn12.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
InChIInChI=1S/C21H25N3O.C19H24N4O.C18H23N3O2.C17H18F4N4O.3C16H19FN4O/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;1-16(2,24-14(26)11-8-6-22-7-9(8)11)15-23-13(17(19,20)21)12-10(18)4-3-5-25(12)15;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)13-9-6-18-7-10(9)13)15-19-8-12-11(17)4-3-5-21(12)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;3-5,8-9,11,22H,6-7H2,1-2H3,(H,24,26);3-5,8,11-13,18H,6-7H2,1-2H3,(H,20,22);3-5,8-10,13,18H,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?;8-,9+,11?;11-,12+,13?;9-,10+,13?;10-,11+,13?
InChIKeyUUANXGBJGZTSNC-LTQIXFTISA-N
XLogP13.50
TPSA411.14 Ų
H-Bond Donors12
H-Bond Acceptors29
Rotatable Bonds25
Heavy Atoms164
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002250.69
LogP ≤ 513.50
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide with MolForge

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Related Compounds

Frequently Asked Questions

What is the IUPAC name of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[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-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide (CID 161193496) is 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[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-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[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-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[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)c1nc(C(F)(F)F)c2c(F)cccn12.CC(C)(NC(=O)C1[C@H]2CNC[C@@H]12)c1ncc2c(F)cccn12.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.
What is the InChIKey of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide?
The InChIKey is UUANXGBJGZTSNC-LTQIXFTISA-N. The full InChI is InChI=1S/C21H25N3O.C19H24N4O.C18H23N3O2.C17H18F4N4O.3C16H19FN4O/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;1-16(2,24-14(26)11-8-6-22-7-9(8)11)15-23-13(17(19,20)21)12-10(18)4-3-5-25(12)15;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)13-9-6-18-7-10(9)13)15-19-8-12-11(17)4-3-5-21(12)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;3-5,8-9,11,22H,6-7H2,1-2H3,(H,24,26);3-5,8,11-13,18H,6-7H2,1-2H3,(H,20,22);3-5,8-10,13,18H,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?;8-,9+,11?;11-,12+,13?;9-,10+,13?;10-,11+,13?.
What are the key properties of 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[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-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide has a molecular weight of 2250.69 g/mol, XLogP of 13.50, 25 rotatable bonds, 12 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S,5R)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(2-cyclopropylquinazolin-4-yl)-3-methylbutan-1-one;1-[(1R,5S)-3-azabicyclo[3.1.0]hexan-6-yl]-3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methylbutan-1-one;(1R,5S)-N-[2-(2,7-dimethyl-1,6-naphthyridin-5-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-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;(1R,5S)-N-[2-(8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide is sourced from PubChem (CID 161193496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).