2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

C19H17NO5S — CID 138506162

IUPAC2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCOc1ccc(Cn2c(=O)c(O)c(C(=O)O)c3sc(C4CC4)cc32)cc1
InChIInChI=1S/C19H17NO5S/c1-25-12-6-2-10(3-7-12)9-20-13-8-14(11-4-5-11)26-17(13)15(19(23)24)16(21)18(20)22/h2-3,6-8,11,21H,4-5,9H2,1H3,(H,23,24)
InChIKeyZNBAEWSHESLXTD-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.40
Rot. Bonds5

About 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid

2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (PubChem CID 138506162) has the molecular formula C19H17NO5S and a molecular weight of 371.41 g/mol. Its IUPAC name is 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
PubChem CID138506162
Molecular FormulaC19H17NO5S
Molecular Weight371.41 g/mol
Exact Mass371.08
IUPAC Name2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid
SMILESCOc1ccc(Cn2c(=O)c(O)c(C(=O)O)c3sc(C4CC4)cc32)cc1
InChIInChI=1S/C19H17NO5S/c1-25-12-6-2-10(3-7-12)9-20-13-8-14(11-4-5-11)26-17(13)15(19(23)24)16(21)18(20)22/h2-3,6-8,11,21H,4-5,9H2,1H3,(H,23,24)
InChIKeyZNBAEWSHESLXTD-UHFFFAOYSA-N
XLogP3.40
TPSA88.76 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-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

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The IUPAC name of 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid (CID 138506162) is 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The canonical SMILES for 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is COc1ccc(Cn2c(=O)c(O)c(C(=O)O)c3sc(C4CC4)cc32)cc1.
What is the InChIKey of 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
The InChIKey is ZNBAEWSHESLXTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17NO5S/c1-25-12-6-2-10(3-7-12)9-20-13-8-14(11-4-5-11)26-17(13)15(19(23)24)16(21)18(20)22/h2-3,6-8,11,21H,4-5,9H2,1H3,(H,23,24).
What are the key properties of 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid?
2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid has a molecular weight of 371.41 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-6-hydroxy-4-[(4-methoxyphenyl)methyl]-5-oxothieno[3,2-b]pyridine-7-carboxylic acid is sourced from PubChem (CID 138506162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).