3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide

C17H11FIN5O2 — CID 59704729

IUPAC3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H11FIN5O2/c18-11-7-9(19)1-2-12(11)22-15-10-8-20-5-3-13(10)26-16(15)17(25)23-14-4-6-21-24-14/h1-8,22H,(H2,21,23,24,25)
InChIKeySACQWBUXPJDSDR-UHFFFAOYSA-N
MW463.21 g/mol
LogP4.29
Rot. Bonds4

About 3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide

3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide (PubChem CID 59704729) has the molecular formula C17H11FIN5O2 and a molecular weight of 463.21 g/mol. Its IUPAC name is 3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide
PubChem CID59704729
Molecular FormulaC17H11FIN5O2
Molecular Weight463.21 g/mol
Exact Mass462.99
IUPAC Name3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide
SMILESO=C(Nc1ccn[nH]1)c1oc2ccncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C17H11FIN5O2/c18-11-7-9(19)1-2-12(11)22-15-10-8-20-5-3-13(10)26-16(15)17(25)23-14-4-6-21-24-14/h1-8,22H,(H2,21,23,24,25)
InChIKeySACQWBUXPJDSDR-UHFFFAOYSA-N
XLogP4.29
TPSA95.84 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.21
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide?
The IUPAC name of 3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide (CID 59704729) is 3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide.
What is the SMILES notation for 3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide?
The canonical SMILES for 3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide is O=C(Nc1ccn[nH]1)c1oc2ccncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide?
The InChIKey is SACQWBUXPJDSDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11FIN5O2/c18-11-7-9(19)1-2-12(11)22-15-10-8-20-5-3-13(10)26-16(15)17(25)23-14-4-6-21-24-14/h1-8,22H,(H2,21,23,24,25).
What are the key properties of 3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide?
3-(2-fluoro-4-iodoanilino)-N-(1H-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide has a molecular weight of 463.21 g/mol, XLogP of 4.29, 4 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-pyrazol-5-yl)furo[3,2-c]pyridine-2-carboxamide is sourced from PubChem (CID 59704729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).