4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid

C12H15N3O2 — CID 63268203

IUPAC4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(CC(=O)O)Cc1nc2ccncc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-12(2,6-11(16)17)5-10-14-8-3-4-13-7-9(8)15-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAIDVIOFDLZCNDZ-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.00
Rot. Bonds4

About 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid

4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid (PubChem CID 63268203) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid
PubChem CID63268203
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid
SMILESCC(C)(CC(=O)O)Cc1nc2ccncc2[nH]1
InChIInChI=1S/C12H15N3O2/c1-12(2,6-11(16)17)5-10-14-8-3-4-13-7-9(8)15-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyAIDVIOFDLZCNDZ-UHFFFAOYSA-N
XLogP2.00
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid?
The IUPAC name of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid (CID 63268203) is 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid.
What is the SMILES notation for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid?
The canonical SMILES for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid is CC(C)(CC(=O)O)Cc1nc2ccncc2[nH]1.
What is the InChIKey of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid?
The InChIKey is AIDVIOFDLZCNDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-12(2,6-11(16)17)5-10-14-8-3-4-13-7-9(8)15-10/h3-4,7H,5-6H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid?
4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid has a molecular weight of 233.27 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3H-imidazo[4,5-c]pyridin-2-yl)-3,3-dimethylbutanoic acid is sourced from PubChem (CID 63268203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).