1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid

C13H11N3O3S — CID 116630419

IUPAC1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1Cn1ccc2sccc2c1=O
InChIInChI=1S/C13H11N3O3S/c1-15-10(9(6-14-15)13(18)19)7-16-4-2-11-8(12(16)17)3-5-20-11/h2-6H,7H2,1H3,(H,18,19)
InChIKeyLIWUQAZUVMFTCR-UHFFFAOYSA-N
MW289.32 g/mol
LogP1.54
Rot. Bonds3

About 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid

1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid (PubChem CID 116630419) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid
PubChem CID116630419
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid
SMILESCn1ncc(C(=O)O)c1Cn1ccc2sccc2c1=O
InChIInChI=1S/C13H11N3O3S/c1-15-10(9(6-14-15)13(18)19)7-16-4-2-11-8(12(16)17)3-5-20-11/h2-6H,7H2,1H3,(H,18,19)
InChIKeyLIWUQAZUVMFTCR-UHFFFAOYSA-N
XLogP1.54
TPSA77.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-oxothieno[3,2-c]pyridin-5-yl)propanoic acid
CID 112556961
3-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]furan-2-carboxylic acid
CID 115912019
4-(4-oxothieno[3,2-c]pyridin-5-yl)butanoic acid
CID 112556973
5-ethylthieno[3,2-c]pyridin-4-one
CID 115886528
5-[(4-hydroxyphenyl)methyl]thieno[3,2-c]pyridin-4-one
CID 116626911
5-(5-hydroxypentyl)thieno[3,2-c]pyridin-4-one
CID 112557081
5-[(7-ethylindol-1-yl)methyl]-1-methylpyrazole-4-carboxylic acid
CID 116630203
2-(4-oxothieno[3,2-c]pyridin-5-yl)acetamide
CID 115886517
4-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]benzamide
CID 115886543
5-[(4-tert-butyl-1,3-thiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 115886597
5-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]thieno[3,2-c]pyridin-4-one
CID 103985821
5-(9-sulfanylnonyl)thieno[3,2-c]pyridin-4-one
CID 105344666

Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid (CID 116630419) is 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid is Cn1ncc(C(=O)O)c1Cn1ccc2sccc2c1=O.
What is the InChIKey of 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid?
The InChIKey is LIWUQAZUVMFTCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-15-10(9(6-14-15)13(18)19)7-16-4-2-11-8(12(16)17)3-5-20-11/h2-6H,7H2,1H3,(H,18,19).
What are the key properties of 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid?
1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid has a molecular weight of 289.32 g/mol, XLogP of 1.54, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[(4-oxothieno[3,2-c]pyridin-5-yl)methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 116630419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).