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

C20H21N5O2 — CID 121339165

IUPACN-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
SMILESCc1cccn2c(C3(NC(=O)c4nccc5c4OCCNC5)CC3)ncc12
InChIInChI=1S/C20H21N5O2/c1-13-3-2-9-25-15(13)12-23-19(25)20(5-6-20)24-18(26)16-17-14(4-7-22-16)11-21-8-10-27-17/h2-4,7,9,12,21H,5-6,8,10-11H2,1H3,(H,24,26)
InChIKeyKLEJISVFKQXTTC-UHFFFAOYSA-N
MW363.42 g/mol
LogP1.94
Rot. Bonds3

About N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide

N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (PubChem CID 121339165) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide.

Molecular Properties

Compound NameN-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
PubChem CID121339165
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC NameN-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide
SMILESCc1cccn2c(C3(NC(=O)c4nccc5c4OCCNC5)CC3)ncc12
InChIInChI=1S/C20H21N5O2/c1-13-3-2-9-25-15(13)12-23-19(25)20(5-6-20)24-18(26)16-17-14(4-7-22-16)11-21-8-10-27-17/h2-4,7,9,12,21H,5-6,8,10-11H2,1H3,(H,24,26)
InChIKeyKLEJISVFKQXTTC-UHFFFAOYSA-N
XLogP1.94
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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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-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The IUPAC name of N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide (CID 121339165) is N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide.
What is the SMILES notation for N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The canonical SMILES for N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide is Cc1cccn2c(C3(NC(=O)c4nccc5c4OCCNC5)CC3)ncc12.
What is the InChIKey of N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
The InChIKey is KLEJISVFKQXTTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-13-3-2-9-25-15(13)12-23-19(25)20(5-6-20)24-18(26)16-17-14(4-7-22-16)11-21-8-10-27-17/h2-4,7,9,12,21H,5-6,8,10-11H2,1H3,(H,24,26).
What are the key properties of N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide?
N-[1-(8-methylimidazo[1,5-a]pyridin-3-yl)cyclopropyl]-2,3,4,5-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide has a molecular weight of 363.42 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 6 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-tetrahydropyrido[4,3-f][1,4]oxazepine-9-carboxamide is sourced from PubChem (CID 121339165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).