3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid

C15H19N3O3S — CID 119212010

IUPAC3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1nc(SC)n2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O3S/c1-4-9(2)11(14(20)21)16-13(19)12-10-7-5-6-8-18(10)15(17-12)22-3/h5-9,11H,4H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyKKDVBWMFLUCPBI-UHFFFAOYSA-N
MW321.40 g/mol
LogP2.29
Rot. Bonds6

About 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid

3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid (PubChem CID 119212010) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid.

Molecular Properties

Compound Name3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid
PubChem CID119212010
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid
SMILESCCC(C)C(NC(=O)c1nc(SC)n2ccccc12)C(=O)O
InChIInChI=1S/C15H19N3O3S/c1-4-9(2)11(14(20)21)16-13(19)12-10-7-5-6-8-18(10)15(17-12)22-3/h5-9,11H,4H2,1-3H3,(H,16,19)(H,20,21)
InChIKeyKKDVBWMFLUCPBI-UHFFFAOYSA-N
XLogP2.29
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-2-[(2-methylimidazo[1,2-a]pyridine-3-carbonyl)amino]pentanoic acid
CID 82032893
3-methyl-2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)pentanoic acid
CID 103790711
3-methylsulfanyl-N-(4-methylsulfanylphenyl)imidazo[1,5-a]pyridine-1-carboxamide
CID 60560831
3-ethyl-N-propan-2-ylimidazo[1,5-a]pyridine-1-carboxamide
CID 110674602
[(2R)-1-pyrazol-1-ylpropan-2-yl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 96534927
2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]-2-(oxan-3-yl)acetic acid
CID 120547625
(2S,3S)-3-methyl-2-[(2-methylsulfanylbenzoyl)amino]pentanoic acid
CID 61137536
(2S)-2-(imidazo[1,2-a]pyridine-2-carbonylamino)-3-methylpentanoic acid
CID 61173973
[2-oxo-2-[4-(propanoylamino)phenyl]ethyl] 3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxylate
CID 47820356
(2S)-2-[(3-aminopyridine-2-carbonyl)amino]-3-methylpentanoic acid
CID 104741920
(2S,3S)-2-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-3-methylpentanoic acid
CID 119194002
N-[(1S,2S,3S,4S)-3-(hydroxymethyl)-2-bicyclo[2.2.1]heptanyl]-3-methylsulfanylimidazo[1,5-a]pyridine-1-carboxamide
CID 99627087

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid?
The IUPAC name of 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid (CID 119212010) is 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid.
What is the SMILES notation for 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid?
The canonical SMILES for 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid is CCC(C)C(NC(=O)c1nc(SC)n2ccccc12)C(=O)O.
What is the InChIKey of 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid?
The InChIKey is KKDVBWMFLUCPBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-4-9(2)11(14(20)21)16-13(19)12-10-7-5-6-8-18(10)15(17-12)22-3/h5-9,11H,4H2,1-3H3,(H,16,19)(H,20,21).
What are the key properties of 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid?
3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid has a molecular weight of 321.40 g/mol, XLogP of 2.29, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(3-methylsulfanylimidazo[1,5-a]pyridine-1-carbonyl)amino]pentanoic acid is sourced from PubChem (CID 119212010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).