N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one

C85H94ClFN14O9 — CID 158113542

About N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one

N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one (PubChem CID 158113542) has the molecular formula C85H94ClFN14O9 and a molecular weight of 1510.23 g/mol. Its IUPAC name is N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one.

Molecular Properties

• Compound Name: N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one
• PubChem CID: 158113542
• Molecular Formula: C85H94ClFN14O9
• Molecular Weight: 1510.23 g/mol
• Exact Mass: 1508.70
• IUPAC Name: N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one
• SMILES: CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncc2c(Cl)cccn12.COc1cccn2c(C(C)(C)CC(=O)c3cccc4c3OCCNC4)ncc12.Cc1cccn2c(C(C)(C)CC(=O)c3cccc4c3OCCNC4)ncc12.Cc1nc(C(C)(C)NC(=O)c2cccc3c2OCCNC3)n2cccc(F)c12
• InChI: InChI=1S/C22H25N3O3.C22H25N3O2.C21H23FN4O2.C20H21ClN4O2/c1-22(2,21-24-14-17-19(27-3)8-5-10-25(17)21)12-18(26)16-7-4-6-15-13-23-9-11-28-20(15)16;1-15-6-5-10-25-18(15)14-24-21(25)22(2,3)12-19(26)17-8-4-7-16-13-23-9-11-27-20(16)17;1-13-17-16(22)8-5-10-26(17)20(24-13)21(2,3)25-19(27)15-7-4-6-14-12-23-9-11-28-18(14)15;1-20(2,19-23-12-16-15(21)7-4-9-25(16)19)24-18(26)14-6-3-5-13-11-22-8-10-27-17(13)14/h4-8,10,14,23H,9,11-13H2,1-3H3;4-8,10,14,23H,9,11-13H2,1-3H3;4-8,10,23H,9,11-12H2,1-3H3,(H,25,27);3-7,9,12,22H,8,10-11H2,1-2H3,(H,24,26)
• InChIKey: FQSOBKFHFIDLEJ-UHFFFAOYSA-N
• XLogP: 13.11
• TPSA: 255.81 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 15
• Heavy Atoms: 110
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1510.23
LogP ≤ 5	13.11
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

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

The IUPAC name of N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one (CID 158113542) is N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one.

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

The canonical SMILES for N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one is CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncc2c(Cl)cccn12.COc1cccn2c(C(C)(C)CC(=O)c3cccc4c3OCCNC4)ncc12.Cc1cccn2c(C(C)(C)CC(=O)c3cccc4c3OCCNC4)ncc12.Cc1nc(C(C)(C)NC(=O)c2cccc3c2OCCNC3)n2cccc(F)c12.

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

The InChIKey is FQSOBKFHFIDLEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3.C22H25N3O2.C21H23FN4O2.C20H21ClN4O2/c1-22(2,21-24-14-17-19(27-3)8-5-10-25(17)21)12-18(26)16-7-4-6-15-13-23-9-11-28-20(15)16;1-15-6-5-10-25-18(15)14-24-21(25)22(2,3)12-19(26)17-8-4-7-16-13-23-9-11-27-20(16)17;1-13-17-16(22)8-5-10-26(17)20(24-13)21(2,3)25-19(27)15-7-4-6-14-12-23-9-11-28-18(14)15;1-20(2,19-23-12-16-15(21)7-4-9-25(16)19)24-18(26)14-6-3-5-13-11-22-8-10-27-17(13)14/h4-8,10,14,23H,9,11-13H2,1-3H3;4-8,10,14,23H,9,11-13H2,1-3H3;4-8,10,23H,9,11-12H2,1-3H3,(H,25,27);3-7,9,12,22H,8,10-11H2,1-2H3,(H,24,26).

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

N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one has a molecular weight of 1510.23 g/mol, XLogP of 13.11, 15 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(8-chloroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;3-(8-methoxyimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;3-methyl-3-(8-methylimidazo[1,5-a]pyridin-3-yl)-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one is sourced from PubChem (CID 158113542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).