3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid

C17H16N4O3S — CID 166289797

IUPAC3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)CC(NC(=O)c1nc(C2CC2)n2ccccc12)c1nccs1
InChIInChI=1S/C17H16N4O3S/c22-13(23)9-11(17-18-6-8-25-17)19-16(24)14-12-3-1-2-7-21(12)15(20-14)10-4-5-10/h1-3,6-8,10-11H,4-5,9H2,(H,19,24)(H,22,23)
InChIKeyAPHRLWOVXREBGH-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.61
Rot. Bonds6

About 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid

3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid (PubChem CID 166289797) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid.

Molecular Properties

Compound Name3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid
PubChem CID166289797
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid
SMILESO=C(O)CC(NC(=O)c1nc(C2CC2)n2ccccc12)c1nccs1
InChIInChI=1S/C17H16N4O3S/c22-13(23)9-11(17-18-6-8-25-17)19-16(24)14-12-3-1-2-7-21(12)15(20-14)10-4-5-10/h1-3,6-8,10-11H,4-5,9H2,(H,19,24)(H,22,23)
InChIKeyAPHRLWOVXREBGH-UHFFFAOYSA-N
XLogP2.61
TPSA96.59 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid?
The IUPAC name of 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid (CID 166289797) is 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid.
What is the SMILES notation for 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid?
The canonical SMILES for 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid is O=C(O)CC(NC(=O)c1nc(C2CC2)n2ccccc12)c1nccs1.
What is the InChIKey of 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid?
The InChIKey is APHRLWOVXREBGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c22-13(23)9-11(17-18-6-8-25-17)19-16(24)14-12-3-1-2-7-21(12)15(20-14)10-4-5-10/h1-3,6-8,10-11H,4-5,9H2,(H,19,24)(H,22,23).
What are the key properties of 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid?
3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid has a molecular weight of 356.41 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropylimidazo[1,5-a]pyridine-1-carbonyl)amino]-3-(1,3-thiazol-2-yl)propanoic acid is sourced from PubChem (CID 166289797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).