N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C20H22N4O2 — CID 121339306

IUPACN-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncc2ccccn12
InChIInChI=1S/C20H22N4O2/c1-20(2,19-22-13-15-7-3-4-10-24(15)19)23-18(25)16-8-5-6-14-12-21-9-11-26-17(14)16/h3-8,10,13,21H,9,11-12H2,1-2H3,(H,23,25)
InChIKeyLVHYCOVGHFRASP-UHFFFAOYSA-N
MW350.42 g/mol
LogP2.48
Rot. Bonds3

About N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (PubChem CID 121339306) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
PubChem CID121339306
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC NameN-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncc2ccccn12
InChIInChI=1S/C20H22N4O2/c1-20(2,19-22-13-15-7-3-4-10-24(15)19)23-18(25)16-8-5-6-14-12-21-9-11-26-17(14)16/h3-8,10,13,21H,9,11-12H2,1-2H3,(H,23,25)
InChIKeyLVHYCOVGHFRASP-UHFFFAOYSA-N
XLogP2.48
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The IUPAC name of N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 121339306) is N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.
What is the SMILES notation for N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The canonical SMILES for N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is CC(C)(NC(=O)c1cccc2c1OCCNC2)c1ncc2ccccn12.
What is the InChIKey of N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The InChIKey is LVHYCOVGHFRASP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-20(2,19-22-13-15-7-3-4-10-24(15)19)23-18(25)16-8-5-6-14-12-21-9-11-26-17(14)16/h3-8,10,13,21H,9,11-12H2,1-2H3,(H,23,25).
What are the key properties of N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide has a molecular weight of 350.42 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-imidazo[1,5-a]pyridin-3-ylpropan-2-yl)-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is sourced from PubChem (CID 121339306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).