3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide

C18H13FIN5O2 — CID 59704738

IUPAC3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C18H13FIN5O2/c19-12-7-10(20)1-2-13(12)25-16-11-8-21-4-3-14(11)27-17(16)18(26)24-9-15-22-5-6-23-15/h1-8,25H,9H2,(H,22,23)(H,24,26)
InChIKeyCKWKOFPOQYFPRL-UHFFFAOYSA-N
MW477.24 g/mol
LogP3.97
Rot. Bonds5

About 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 59704738) has the molecular formula C18H13FIN5O2 and a molecular weight of 477.24 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide
PubChem CID59704738
Molecular FormulaC18H13FIN5O2
Molecular Weight477.24 g/mol
Exact Mass477.01
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NCc1ncc[nH]1)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C18H13FIN5O2/c19-12-7-10(20)1-2-13(12)25-16-11-8-21-4-3-14(11)27-17(16)18(26)24-9-15-22-5-6-23-15/h1-8,25H,9H2,(H,22,23)(H,24,26)
InChIKeyCKWKOFPOQYFPRL-UHFFFAOYSA-N
XLogP3.97
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.24
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide 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 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide (CID 59704738) is 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide is O=C(NCc1ncc[nH]1)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is CKWKOFPOQYFPRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FIN5O2/c19-12-7-10(20)1-2-13(12)25-16-11-8-21-4-3-14(11)27-17(16)18(26)24-9-15-22-5-6-23-15/h1-8,25H,9H2,(H,22,23)(H,24,26).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 477.24 g/mol, XLogP of 3.97, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-iodoanilino)-N-(1H-imidazol-2-ylmethyl)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 59704738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).