2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid

C16H19N3O4S — CID 120547625

IUPAC2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCSc1nc(C(=O)NC(C(=O)O)C2CCCOC2)c2ccccn12
InChIInChI=1S/C16H19N3O4S/c1-24-16-18-13(11-6-2-3-7-19(11)16)14(20)17-12(15(21)22)10-5-4-8-23-9-10/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,20)(H,21,22)
InChIKeyWACGMDLZQRDAEU-UHFFFAOYSA-N
MW349.41 g/mol
LogP1.67
Rot. Bonds5

About 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid

2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid (PubChem CID 120547625) has the molecular formula C16H19N3O4S and a molecular weight of 349.41 g/mol. Its IUPAC name is 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid.

Molecular Properties

Compound Name2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid
PubChem CID120547625
Molecular FormulaC16H19N3O4S
Molecular Weight349.41 g/mol
Exact Mass349.11
IUPAC Name2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid
SMILESCSc1nc(C(=O)NC(C(=O)O)C2CCCOC2)c2ccccn12
InChIInChI=1S/C16H19N3O4S/c1-24-16-18-13(11-6-2-3-7-19(11)16)14(20)17-12(15(21)22)10-5-4-8-23-9-10/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,20)(H,21,22)
InChIKeyWACGMDLZQRDAEU-UHFFFAOYSA-N
XLogP1.67
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid
CID 119212010
2-[(2,5-dimethyl-1,3-thiazole-4-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548251
2-[[1-(2-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547493
2-[[5-methyl-1-(2-propan-2-ylphenyl)-1,2,4-triazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120548589
2-[(4-methylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120549071
3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 60560831
2-[(7-methyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120548477
2-(oxan-3-yl)-2-[(2-phenyl-1,3-thiazole-4-carbonyl)amino]acetic acid
CID 120548981
N-[(1R)-1-cyanobutyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 95285610
N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 99627087
2-[(3,5-dimethylbenzoyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547871
2-[[1-(4-fluorophenyl)pyrazole-3-carbonyl]amino]-2-(oxan-3-yl)acetic acid
CID 120547481

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The IUPAC name of 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid (CID 120547625) is 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid.
What is the SMILES notation for 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The canonical SMILES for 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid is CSc1nc(C(=O)NC(C(=O)O)C2CCCOC2)c2ccccn12.
What is the InChIKey of 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
The InChIKey is WACGMDLZQRDAEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S/c1-24-16-18-13(11-6-2-3-7-19(11)16)14(20)17-12(15(21)22)10-5-4-8-23-9-10/h2-3,6-7,10,12H,4-5,8-9H2,1H3,(H,17,20)(H,21,22).
What are the key properties of 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid?
2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid has a molecular weight of 349.41 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid is sourced from PubChem (CID 120547625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).