5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

C14H13N3O4 — CID 79344784

IUPAC5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)C=Cc1ccco1
InChIInChI=1S/C14H13N3O4/c18-13(4-3-9-2-1-5-21-9)17-7-11-10(15-8-16-11)6-12(17)14(19)20/h1-5,8,12H,6-7H2,(H,15,16)(H,19,20)
InChIKeyWWTUBCFIEQUUNW-UHFFFAOYSA-N
MW287.27 g/mol
LogP1.05
Rot. Bonds3

About 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid

5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (PubChem CID 79344784) has the molecular formula C14H13N3O4 and a molecular weight of 287.27 g/mol. Its IUPAC name is 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
PubChem CID79344784
Molecular FormulaC14H13N3O4
Molecular Weight287.27 g/mol
Exact Mass287.09
IUPAC Name5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
SMILESO=C(O)C1Cc2nc[nH]c2CN1C(=O)C=Cc1ccco1
InChIInChI=1S/C14H13N3O4/c18-13(4-3-9-2-1-5-21-9)17-7-11-10(15-8-16-11)6-12(17)14(19)20/h1-5,8,12H,6-7H2,(H,15,16)(H,19,20)
InChIKeyWWTUBCFIEQUUNW-UHFFFAOYSA-N
XLogP1.05
TPSA99.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.27
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-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 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The IUPAC name of 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid (CID 79344784) is 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The canonical SMILES for 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is O=C(O)C1Cc2nc[nH]c2CN1C(=O)C=Cc1ccco1.
What is the InChIKey of 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
The InChIKey is WWTUBCFIEQUUNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c18-13(4-3-9-2-1-5-21-9)17-7-11-10(15-8-16-11)6-12(17)14(19)20/h1-5,8,12H,6-7H2,(H,15,16)(H,19,20).
What are the key properties of 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid?
5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid has a molecular weight of 287.27 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(furan-2-yl)prop-2-enoyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 79344784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).