5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C13H15N5O3 — CID 79344242

IUPAC5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1c(C(=O)N2Cc3[nH]cnc3CC2C(=O)O)cnn1C
InChIInChI=1S/C13H15N5O3/c1-7-8(4-16-17(7)2)12(19)18-5-10-9(14-6-15-10)3-11(18)13(20)21/h4,6,11H,3,5H2,1-2H3,(H,14,15)(H,20,21)
InChIKeyFJAAEGVIUWNLON-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.10
Rot. Bonds2

About 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79344242) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79344242
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1c(C(=O)N2Cc3[nH]cnc3CC2C(=O)O)cnn1C
InChIInChI=1S/C13H15N5O3/c1-7-8(4-16-17(7)2)12(19)18-5-10-9(14-6-15-10)3-11(18)13(20)21/h4,6,11H,3,5H2,1-2H3,(H,14,15)(H,20,21)
InChIKeyFJAAEGVIUWNLON-UHFFFAOYSA-N
XLogP0.10
TPSA104.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79344242) is 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1c(C(=O)N2Cc3[nH]cnc3CC2C(=O)O)cnn1C.
What is the InChIKey of 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is FJAAEGVIUWNLON-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-7-8(4-16-17(7)2)12(19)18-5-10-9(14-6-15-10)3-11(18)13(20)21/h4,6,11H,3,5H2,1-2H3,(H,14,15)(H,20,21).
What are the key properties of 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 289.30 g/mol, XLogP of 0.10, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,5-dimethylpyrazole-4-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79344242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).