N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one

C112H120F5N19O10 — CID 161426549

About N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one

N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one (PubChem CID 161426549) has the molecular formula C112H120F5N19O10 and a molecular weight of 1987.30 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one.

Molecular Properties

• Compound Name: N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one
• PubChem CID: 161426549
• Molecular Formula: C112H120F5N19O10
• Molecular Weight: 1987.30 g/mol
• Exact Mass: 1985.94
• IUPAC Name: N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one
• SMILES: CC(C)(NC(=O)c1cccc2c1OCCNC2)c1nc(C(F)(F)F)c2c(F)cccn12.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncnc2c(F)cccc12.Cc1cccn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)nc(C3CC3)c12.Cc1nc(C(C)(C)CC(=O)c2cccc3c2OCCNC3)c2ccccc2n1.Cc1nc(C(C)(C)NC(=O)c2cccc3c2OCCNC3)c2cccc(C)c2n1
• InChI: InChI=1S/C24H28N4O2.C23H26N4O2.C23H25N3O2.C21H20F4N4O2.C21H21FN4O2/c1-15-6-5-12-28-20(15)19(16-9-10-16)26-23(28)24(2,3)27-22(29)18-8-4-7-17-14-25-11-13-30-21(17)18;1-14-7-5-9-17-19(14)25-15(2)26-21(17)23(3,4)27-22(28)18-10-6-8-16-13-24-11-12-29-20(16)18;1-15-25-19-10-5-4-8-17(19)22(26-15)23(2,3)13-20(27)18-9-6-7-16-14-24-11-12-28-21(16)18;1-20(2,19-27-17(21(23,24)25)15-14(22)7-4-9-29(15)19)28-18(30)13-6-3-5-12-11-26-8-10-31-16(12)13;1-21(2,19-14-6-4-8-16(22)17(14)24-12-25-19)26-20(27)15-7-3-5-13-11-23-9-10-28-18(13)15/h4-8,12,16,25H,9-11,13-14H2,1-3H3,(H,27,29);5-10,24H,11-13H2,1-4H3,(H,27,28);4-10,24H,11-14H2,1-3H3;3-7,9,26H,8,10-11H2,1-2H3,(H,28,30);3-8,12,23H,9-11H2,1-2H3,(H,26,27)
• InChIKey: VXKXRJLPYKHIJD-UHFFFAOYSA-N
• XLogP: 17.59
• TPSA: 351.71 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 146
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1987.30
LogP ≤ 5	17.59
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one?

The IUPAC name of N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one (CID 161426549) is N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one.

What is the SMILES notation for N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one?

The canonical SMILES for N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one is CC(C)(NC(=O)c1cccc2c1OCCNC2)c1nc(C(F)(F)F)c2c(F)cccn12.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncnc2c(F)cccc12.Cc1cccn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)nc(C3CC3)c12.Cc1nc(C(C)(C)CC(=O)c2cccc3c2OCCNC3)c2ccccc2n1.Cc1nc(C(C)(C)NC(=O)c2cccc3c2OCCNC3)c2cccc(C)c2n1.

What is the InChIKey of N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one?

The InChIKey is VXKXRJLPYKHIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O2.C23H26N4O2.C23H25N3O2.C21H20F4N4O2.C21H21FN4O2/c1-15-6-5-12-28-20(15)19(16-9-10-16)26-23(28)24(2,3)27-22(29)18-8-4-7-17-14-25-11-13-30-21(17)18;1-14-7-5-9-17-19(14)25-15(2)26-21(17)23(3,4)27-22(28)18-10-6-8-16-13-24-11-12-29-20(16)18;1-15-25-19-10-5-4-8-17(19)22(26-15)23(2,3)13-20(27)18-9-6-7-16-14-24-11-12-28-21(16)18;1-20(2,19-27-17(21(23,24)25)15-14(22)7-4-9-29(15)19)28-18(30)13-6-3-5-12-11-26-8-10-31-16(12)13;1-21(2,19-14-6-4-8-16(22)17(14)24-12-25-19)26-20(27)15-7-3-5-13-11-23-9-10-28-18(13)15/h4-8,12,16,25H,9-11,13-14H2,1-3H3,(H,27,29);5-10,24H,11-13H2,1-4H3,(H,27,28);4-10,24H,11-14H2,1-3H3;3-7,9,26H,8,10-11H2,1-2H3,(H,28,30);3-8,12,23H,9-11H2,1-2H3,(H,26,27).

What are the key properties of N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one?

N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one has a molecular weight of 1987.30 g/mol, XLogP of 17.59, 17 rotatable bonds, 9 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-cyclopropyl-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(2,8-dimethylquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoroquinazolin-4-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-fluoro-1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-methyl-3-(2-methylquinazolin-4-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one is sourced from PubChem (CID 161426549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).