5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C13H12ClN3O3S — CID 103400199

IUPAC5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1csc(C(=O)N2Cc3[nH]cnc3CC2C(=O)O)c1Cl
InChIInChI=1S/C13H12ClN3O3S/c1-6-4-21-11(10(6)14)12(18)17-3-8-7(15-5-16-8)2-9(17)13(19)20/h4-5,9H,2-3H2,1H3,(H,15,16)(H,19,20)
InChIKeyWFWBYEOZQJLSLL-UHFFFAOYSA-N
MW325.78 g/mol
LogP2.08
Rot. Bonds2

About 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 103400199) has the molecular formula C13H12ClN3O3S and a molecular weight of 325.78 g/mol. Its IUPAC name is 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID103400199
Molecular FormulaC13H12ClN3O3S
Molecular Weight325.78 g/mol
Exact Mass325.03
IUPAC Name5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESCc1csc(C(=O)N2Cc3[nH]cnc3CC2C(=O)O)c1Cl
InChIInChI=1S/C13H12ClN3O3S/c1-6-4-21-11(10(6)14)12(18)17-3-8-7(15-5-16-8)2-9(17)13(19)20/h4-5,9H,2-3H2,1H3,(H,15,16)(H,19,20)
InChIKeyWFWBYEOZQJLSLL-UHFFFAOYSA-N
XLogP2.08
TPSA86.29 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.78
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 103400199) is 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is Cc1csc(C(=O)N2Cc3[nH]cnc3CC2C(=O)O)c1Cl.
What is the InChIKey of 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is WFWBYEOZQJLSLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12ClN3O3S/c1-6-4-21-11(10(6)14)12(18)17-3-8-7(15-5-16-8)2-9(17)13(19)20/h4-5,9H,2-3H2,1H3,(H,15,16)(H,19,20).
What are the key properties of 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 325.78 g/mol, XLogP of 2.08, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chloro-4-methylthiophene-2-carbonyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 103400199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).