3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid

C10H11N3O2 — CID 115023919

IUPAC3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)n1cnc2cc(C(=O)O)ncc21
InChIInChI=1S/C10H11N3O2/c1-6(2)13-5-12-7-3-8(10(14)15)11-4-9(7)13/h3-6H,1-2H3,(H,14,15)
InChIKeyLQDRRMJNPDYBNS-UHFFFAOYSA-N
MW205.22 g/mol
LogP1.71
Rot. Bonds2

About 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid

3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 115023919) has the molecular formula C10H11N3O2 and a molecular weight of 205.22 g/mol. Its IUPAC name is 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID115023919
Molecular FormulaC10H11N3O2
Molecular Weight205.22 g/mol
Exact Mass205.09
IUPAC Name3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCC(C)n1cnc2cc(C(=O)O)ncc21
InChIInChI=1S/C10H11N3O2/c1-6(2)13-5-12-7-3-8(10(14)15)11-4-9(7)13/h3-6H,1-2H3,(H,14,15)
InChIKeyLQDRRMJNPDYBNS-UHFFFAOYSA-N
XLogP1.71
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.22
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-amino-1-propan-2-ylbenzimidazole-5-carboxylic acid
CID 84724481
1-methylimidazo[4,5-c]pyridine-6-carboxylic acid;dihydrochloride
CID 138040516
3-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82498137
4-oxo-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 82500461
(1-propan-2-ylbenzimidazol-5-yl)methanol
CID 68642679
(6-fluoro-1-propan-2-ylbenzimidazol-5-yl)boronic acid
CID 75485922
4-amino-4-(1-propan-2-ylbenzimidazol-5-yl)butanoic acid
CID 117407600
1-butan-2-ylbenzimidazole-5-carboxylic acid
CID 43566656
3-chloro-1-methylpyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 105465501
(2R)-2-(5,6-difluorobenzimidazol-1-yl)propanoic acid
CID 93312444
1-propan-2-ylpyrazole-3,5-dicarboxylic acid
CID 117215590
N-benzyl-2-(1-propan-2-ylbenzimidazol-5-yl)acetamide
CID 110773039

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid (CID 115023919) is 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid is CC(C)n1cnc2cc(C(=O)O)ncc21.
What is the InChIKey of 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is LQDRRMJNPDYBNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2/c1-6(2)13-5-12-7-3-8(10(14)15)11-4-9(7)13/h3-6H,1-2H3,(H,14,15).
What are the key properties of 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid?
3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 205.22 g/mol, XLogP of 1.71, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-ylimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 115023919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).