N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide

C17H15FIN3O3S — CID 24739536

IUPACN-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(O)CO)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C17H15FIN3O3S/c18-12-6-9(19)3-4-13(12)22-17-14(15(25)21-7-10(24)8-23)11-2-1-5-20-16(11)26-17/h1-6,10,22-24H,7-8H2,(H,21,25)
InChIKeyWGBAMKGRWFEKHB-UHFFFAOYSA-N
MW487.29 g/mol
LogP2.87
Rot. Bonds6

About N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide

N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide (PubChem CID 24739536) has the molecular formula C17H15FIN3O3S and a molecular weight of 487.29 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide
PubChem CID24739536
Molecular FormulaC17H15FIN3O3S
Molecular Weight487.29 g/mol
Exact Mass486.99
IUPAC NameN-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide
SMILESO=C(NCC(O)CO)c1c(Nc2ccc(I)cc2F)sc2ncccc12
InChIInChI=1S/C17H15FIN3O3S/c18-12-6-9(19)3-4-13(12)22-17-14(15(25)21-7-10(24)8-23)11-2-1-5-20-16(11)26-17/h1-6,10,22-24H,7-8H2,(H,21,25)
InChIKeyWGBAMKGRWFEKHB-UHFFFAOYSA-N
XLogP2.87
TPSA94.48 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.29
LogP ≤ 52.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-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 N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide?
The IUPAC name of N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide (CID 24739536) is N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide is O=C(NCC(O)CO)c1c(Nc2ccc(I)cc2F)sc2ncccc12.
What is the InChIKey of N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide?
The InChIKey is WGBAMKGRWFEKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN3O3S/c18-12-6-9(19)3-4-13(12)22-17-14(15(25)21-7-10(24)8-23)11-2-1-5-20-16(11)26-17/h1-6,10,22-24H,7-8H2,(H,21,25).
What are the key properties of N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide?
N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide has a molecular weight of 487.29 g/mol, XLogP of 2.87, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-2-(2-fluoro-4-iodoanilino)thieno[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 24739536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).