N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide

C21H22N4O2 — CID 121339168

IUPACN-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CC3)ncc12
InChIInChI=1S/C21H22N4O2/c1-14-4-3-10-25-17(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/h2-6,10,13,22H,7-9,11-12H2,1H3,(H,24,26)
InChIKeyHWNZQXQVYJEDMR-UHFFFAOYSA-N
MW362.43 g/mol
LogP2.54
Rot. Bonds3

About N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-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 121339168) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
PubChem CID121339168
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide
SMILESCc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CC3)ncc12
InChIInChI=1S/C21H22N4O2/c1-14-4-3-10-25-17(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/h2-6,10,13,22H,7-9,11-12H2,1H3,(H,24,26)
InChIKeyHWNZQXQVYJEDMR-UHFFFAOYSA-N
XLogP2.54
TPSA67.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 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 N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide (CID 121339168) is 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 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 N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide is Cc1cccn2c(C3(NC(=O)c4cccc5c4OCCNC5)CC3)ncc12.
What is the InChIKey of N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine-9-carboxamide?
The InChIKey is HWNZQXQVYJEDMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-14-4-3-10-25-17(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/h2-6,10,13,22H,7-9,11-12H2,1H3,(H,24,26).
What are the key properties of N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-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 362.43 g/mol, XLogP of 2.54, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 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 121339168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).