3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide

C21H22N4O3 — CID 110630366

IUPAC3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCN1C(=O)COc2c(NC(=O)c3nc(C(C)(C)C)n4ccccc34)cccc21
InChIInChI=1S/C21H22N4O3/c1-21(2,3)20-23-17(14-9-5-6-11-25(14)20)19(27)22-13-8-7-10-15-18(13)28-12-16(26)24(15)4/h5-11H,12H2,1-4H3,(H,22,27)
InChIKeyYBRAOSKKPMOJOO-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.24
Rot. Bonds2

About 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide

3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110630366) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

Compound Name3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide
PubChem CID110630366
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide
SMILESCN1C(=O)COc2c(NC(=O)c3nc(C(C)(C)C)n4ccccc34)cccc21
InChIInChI=1S/C21H22N4O3/c1-21(2,3)20-23-17(14-9-5-6-11-25(14)20)19(27)22-13-8-7-10-15-18(13)28-12-16(26)24(15)4/h5-11H,12H2,1-4H3,(H,22,27)
InChIKeyYBRAOSKKPMOJOO-UHFFFAOYSA-N
XLogP3.24
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide with MolForge

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

Launch Full Analysis

Related Compounds

2,6-dimethoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291846
3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110608257
3,6-dichloro-2-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110291854
5-(3-methoxyphenyl)-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-1,2-oxazole-3-carboxamide
CID 110313725
2-[(4-methyl-3-oxo-1,4-benzoxazin-8-yl)amino]ethene-1,1,2-tricarbonitrile
CID 168607716
3-methyl-N-(2-methylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110649549
2-cyclopropyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-2-phenylacetamide
CID 110630382
3-bromo-4-methoxy-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)benzamide
CID 110630325
1-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)-3-(oxan-4-yl)urea
CID 110630403
3-tert-butyl-N-(2-piperidin-1-ylpropyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 110620585
3-tert-butyl-N-[2-(cyclopropylamino)-2-oxoethyl]imidazo[1,5-a]pyridine-1-carboxamide
CID 110625076
8-[(2-chloro-1,3-thiazol-5-yl)methylamino]-4-methyl-1,4-benzoxazin-3-one
CID 168583782

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The IUPAC name of 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide (CID 110630366) is 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide.
What is the SMILES notation for 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The canonical SMILES for 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide is CN1C(=O)COc2c(NC(=O)c3nc(C(C)(C)C)n4ccccc34)cccc21.
What is the InChIKey of 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide?
The InChIKey is YBRAOSKKPMOJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-21(2,3)20-23-17(14-9-5-6-11-25(14)20)19(27)22-13-8-7-10-15-18(13)28-12-16(26)24(15)4/h5-11H,12H2,1-4H3,(H,22,27).
What are the key properties of 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide?
3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-N-(4-methyl-3-oxo-1,4-benzoxazin-8-yl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110630366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).