N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C86H92F4N16O10 — CID 161130077

About N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 161130077) has the molecular formula C86H92F4N16O10 and a molecular weight of 1585.78 g/mol. Its IUPAC name is N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
• PubChem CID: 161130077
• Molecular Formula: C86H92F4N16O10
• Molecular Weight: 1585.78 g/mol
• Exact Mass: 1584.71
• IUPAC Name: N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
• SMILES: CC(C)(NC(=O)c1cccc2c1OCCNC2)c1nc(C2CC2)c2c(F)cccn12.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncc2c(OC(F)(F)F)cccn12.Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CCOC3)ncc12.Cc1cccn2c([C@H](C)NC(=O)c3cccc4c3OCCNC4)ncc12
• InChI: InChI=1S/C23H25FN4O2.C22H24N4O3.C21H21F3N4O3.C20H22N4O2/c1-23(2,22-26-18(14-8-9-14)19-17(24)7-4-11-28(19)22)27-21(29)16-6-3-5-15-13-25-10-12-30-20(15)16;1-15-4-3-9-26-18(15)13-24-21(26)22(7-10-28-14-22)25-20(27)17-6-2-5-16-12-23-8-11-29-19(16)17;1-20(2,19-26-12-15-16(31-21(22,23)24)7-4-9-28(15)19)27-18(29)14-6-3-5-13-11-25-8-10-30-17(13)14;1-13-5-4-9-24-17(13)12-22-19(24)14(2)23-20(25)16-7-3-6-15-11-21-8-10-26-18(15)16/h3-7,11,14,25H,8-10,12-13H2,1-2H3,(H,27,29);2-6,9,13,23H,7-8,10-12,14H2,1H3,(H,25,27);3-7,9,12,25H,8,10-11H2,1-2H3,(H,27,29);3-7,9,12,14,21H,8,10-11H2,1-2H3,(H,23,25)/t;;;14-/m...0/s1
• InChIKey: UMBIDQCROCKQQV-UFVCJTMNSA-N
• XLogP: 11.66
• TPSA: 289.10 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 22
• Rotatable Bonds: 14
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1585.78
LogP ≤ 5	11.66
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

The IUPAC name of N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 161130077) is N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

What is the SMILES notation for N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

The canonical SMILES for N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is CC(C)(NC(=O)c1cccc2c1OCCNC2)c1nc(C2CC2)c2c(F)cccn12.CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncc2c(OC(F)(F)F)cccn12.Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CCOC3)ncc12.Cc1cccn2c([C@H](C)NC(=O)c3cccc4c3OCCNC4)ncc12.

What is the InChIKey of N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

The InChIKey is UMBIDQCROCKQQV-UFVCJTMNSA-N. The full InChI is InChI=1S/C23H25FN4O2.C22H24N4O3.C21H21F3N4O3.C20H22N4O2/c1-23(2,22-26-18(14-8-9-14)19-17(24)7-4-11-28(19)22)27-21(29)16-6-3-5-15-13-25-10-12-30-20(15)16;1-15-4-3-9-26-18(15)13-24-21(26)22(7-10-28-14-22)25-20(27)17-6-2-5-16-12-23-8-11-29-19(16)17;1-20(2,19-26-12-15-16(31-21(22,23)24)7-4-9-28(15)19)27-18(29)14-6-3-5-13-11-25-8-10-30-17(13)14;1-13-5-4-9-24-17(13)12-22-19(24)14(2)23-20(25)16-7-3-6-15-11-21-8-10-26-18(15)16/h3-7,11,14,25H,8-10,12-13H2,1-2H3,(H,27,29);2-6,9,13,23H,7-8,10-12,14H2,1H3,(H,25,27);3-7,9,12,25H,8,10-11H2,1-2H3,(H,27,29);3-7,9,12,14,21H,8,10-11H2,1-2H3,(H,23,25)/t;;;14-/m...0/s1.

What are the key properties of N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?

N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 1585.78 g/mol, XLogP of 11.66, 14 rotatable bonds, 8 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-cyclopropyl-8-fluoroimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[(1S)-1-(8-methylimidazo[1,5-a]pyridin-3-yl)ethyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[3-(8-methylimidazo[1,5-a]pyridin-3-yl)oxolan-3-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide;N-[2-[8-(trifluoromethoxy)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 161130077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).