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

C21H23FN4O2 — CID 121339663

IUPACN-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2cccc3c2OCCNC3)n2cccc(F)c12
InChIInChI=1S/C21H23FN4O2/c1-13-17-16(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/h4-8,10,23H,9,11-12H2,1-3H3,(H,25,27)
InChIKeySAWFGGNBMMBXKE-UHFFFAOYSA-N
MW382.44 g/mol
LogP2.93
Rot. Bonds3

About 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

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 (PubChem CID 121339663) has the molecular formula C21H23FN4O2 and a molecular weight of 382.44 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
PubChem CID121339663
Molecular FormulaC21H23FN4O2
Molecular Weight382.44 g/mol
Exact Mass382.18
IUPAC NameN-[2-(8-fluoro-1-methylimidazo[1,5-a]pyridin-3-yl)propan-2-yl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1nc(C(C)(C)NC(=O)c2cccc3c2OCCNC3)n2cccc(F)c12
InChIInChI=1S/C21H23FN4O2/c1-13-17-16(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/h4-8,10,23H,9,11-12H2,1-3H3,(H,25,27)
InChIKeySAWFGGNBMMBXKE-UHFFFAOYSA-N
XLogP2.93
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.44
LogP ≤ 52.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 121339663) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1nc(C(C)(C)NC(=O)c2cccc3c2OCCNC3)n2cccc(F)c12.
What is the InChIKey of 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?
The InChIKey is SAWFGGNBMMBXKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O2/c1-13-17-16(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/h4-8,10,23H,9,11-12H2,1-3H3,(H,25,27).
What are the key properties of 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?
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 has a molecular weight of 382.44 g/mol, XLogP of 2.93, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 121339663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).