2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid

C12H13N3O2 — CID 83850434

IUPAC2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2ncccc2n1C1CC1
InChIInChI=1S/C12H13N3O2/c1-7(12(16)17)11-14-10-9(3-2-6-13-10)15(11)8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyOFVCLGMWBCBYRQ-UHFFFAOYSA-N
MW231.25 g/mol
LogP1.95
Rot. Bonds3

About 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid

2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid (PubChem CID 83850434) has the molecular formula C12H13N3O2 and a molecular weight of 231.25 g/mol. Its IUPAC name is 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid.

Molecular Properties

Compound Name2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid
PubChem CID83850434
Molecular FormulaC12H13N3O2
Molecular Weight231.25 g/mol
Exact Mass231.10
IUPAC Name2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid
SMILESCC(C(=O)O)c1nc2ncccc2n1C1CC1
InChIInChI=1S/C12H13N3O2/c1-7(12(16)17)11-14-10-9(3-2-6-13-10)15(11)8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,16,17)
InChIKeyOFVCLGMWBCBYRQ-UHFFFAOYSA-N
XLogP1.95
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.25
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid?
The IUPAC name of 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid (CID 83850434) is 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid.
What is the SMILES notation for 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid?
The canonical SMILES for 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid is CC(C(=O)O)c1nc2ncccc2n1C1CC1.
What is the InChIKey of 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid?
The InChIKey is OFVCLGMWBCBYRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c1-7(12(16)17)11-14-10-9(3-2-6-13-10)15(11)8-4-5-8/h2-3,6-8H,4-5H2,1H3,(H,16,17).
What are the key properties of 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid?
2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid has a molecular weight of 231.25 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-cyclopropylimidazo[4,5-b]pyridin-2-yl)propanoic acid is sourced from PubChem (CID 83850434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).