3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C87H96FN15O8 — CID 159590204

About 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 159590204) has the molecular formula C87H96FN15O8 and a molecular weight of 1498.82 g/mol. Its IUPAC name is 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

• Compound Name: 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
• PubChem CID: 159590204
• Molecular Formula: C87H96FN15O8
• Molecular Weight: 1498.82 g/mol
• Exact Mass: 1497.76
• IUPAC Name: 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
• SMILES: Cc1cc(F)cn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)ncc12.Cc1cccn2c(C(C)(C)CC(=O)c3cccc4c3OCCNC4)nc(C)c12.Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CC3)ncc12.Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CCC3)ncc12
• InChI: InChI=1S/C23H27N3O2.C22H24N4O2.C21H23FN4O2.C21H22N4O2/c1-15-7-6-11-26-20(15)16(2)25-22(26)23(3,4)13-19(27)18-9-5-8-17-14-24-10-12-28-21(17)18;1-15-5-3-11-26-18(15)14-24-21(26)22(8-4-9-22)25-20(27)17-7-2-6-16-13-23-10-12-28-19(16)17;1-13-9-15(22)12-26-17(13)11-24-20(26)21(2,3)25-19(27)16-6-4-5-14-10-23-7-8-28-18(14)16;1-14-4-3-10-25-17(14)13-23-20(25)21(7-8-21)24-19(26)16-6-2-5-15-12-22-9-11-27-18(15)16/h5-9,11,24H,10,12-14H2,1-4H3;2-3,5-7,11,14,23H,4,8-10,12-13H2,1H3,(H,25,27);4-6,9,11-12,23H,7-8,10H2,1-3H3,(H,25,27);2-6,10,13,22H,7-9,11-12H2,1H3,(H,24,26)
• InChIKey: MKDGCERLEYBSLW-UHFFFAOYSA-N
• XLogP: 12.39
• TPSA: 258.61 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 20
• Rotatable Bonds: 13
• Heavy Atoms: 111
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1498.82
LogP ≤ 5	12.39
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

The IUPAC name of 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 159590204) is 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

What is the SMILES notation for 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

The canonical SMILES for 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is Cc1cc(F)cn2c(C(C)(C)NC(=O)c3cccc4c3OCCNC4)ncc12.Cc1cccn2c(C(C)(C)CC(=O)c3cccc4c3OCCNC4)nc(C)c12.Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CC3)ncc12.Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CCC3)ncc12.

What is the InChIKey of 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

The InChIKey is MKDGCERLEYBSLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2.C22H24N4O2.C21H23FN4O2.C21H22N4O2/c1-15-7-6-11-26-20(15)16(2)25-22(26)23(3,4)13-19(27)18-9-5-8-17-14-24-10-12-28-21(17)18;1-15-5-3-11-26-18(15)14-24-21(26)22(8-4-9-22)25-20(27)17-7-2-6-16-13-23-10-12-28-19(16)17;1-13-9-15(22)12-26-17(13)11-24-20(26)21(2,3)25-19(27)16-6-4-5-14-10-23-7-8-28-18(14)16;1-14-4-3-10-25-17(14)13-23-20(25)21(7-8-21)24-19(26)16-6-2-5-15-12-22-9-11-27-18(15)16/h5-9,11,24H,10,12-14H2,1-4H3;2-3,5-7,11,14,23H,4,8-10,12-13H2,1H3,(H,25,27);4-6,9,11-12,23H,7-8,10H2,1-3H3,(H,25,27);2-6,10,13,22H,7-9,11-12H2,1H3,(H,24,26).

What are the key properties of 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 1498.82 g/mol, XLogP of 12.39, 13 rotatable bonds, 7 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,8-dimethylimidazo[1,5-a]pyridin-3-yl)-3-methyl-1-(2,3,4,5-tetrahydro-1,4-benzoxazepin-9-yl)butan-1-one;N-[2-(6-fluoro-8-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclobutyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 159590204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).