N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

C17H15FIN3O4 — CID 25011839

IUPACN-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NC(CO)CO)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O4/c18-12-5-9(19)1-2-13(12)22-15-11-6-20-4-3-14(11)26-16(15)17(25)21-10(7-23)8-24/h1-6,10,22-24H,7-8H2,(H,21,25)
InChIKeyWCKDOQJCOYZFDX-UHFFFAOYSA-N
MW471.23 g/mol
LogP2.40
Rot. Bonds6

About N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide

N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 25011839) has the molecular formula C17H15FIN3O4 and a molecular weight of 471.23 g/mol. Its IUPAC name is N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
PubChem CID25011839
Molecular FormulaC17H15FIN3O4
Molecular Weight471.23 g/mol
Exact Mass471.01
IUPAC NameN-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(NC(CO)CO)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H15FIN3O4/c18-12-5-9(19)1-2-13(12)22-15-11-6-20-4-3-14(11)26-16(15)17(25)21-10(7-23)8-24/h1-6,10,22-24H,7-8H2,(H,21,25)
InChIKeyWCKDOQJCOYZFDX-UHFFFAOYSA-N
XLogP2.40
TPSA107.62 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.23
LogP ≤ 52.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide (CID 25011839) is N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is O=C(NC(CO)CO)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is WCKDOQJCOYZFDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FIN3O4/c18-12-5-9(19)1-2-13(12)22-15-11-6-20-4-3-14(11)26-16(15)17(25)21-10(7-23)8-24/h1-6,10,22-24H,7-8H2,(H,21,25).
What are the key properties of N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide?
N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 471.23 g/mol, XLogP of 2.40, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dihydroxypropan-2-yl)-3-(2-fluoro-4-iodoanilino)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 25011839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).