4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide

C15H12FIN4O2 — CID 44603205

IUPAC4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide
SMILESCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C15H12FIN4O2/c1-23-21-15(22)9-3-5-12-10(7-18-20-12)14(9)19-13-4-2-8(17)6-11(13)16/h2-7,19H,1H3,(H,18,20)(H,21,22)
InChIKeyPJBCKFFOHMEAQE-UHFFFAOYSA-N
MW426.19 g/mol
LogP3.34
Rot. Bonds4

About 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide

4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide (PubChem CID 44603205) has the molecular formula C15H12FIN4O2 and a molecular weight of 426.19 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide
PubChem CID44603205
Molecular FormulaC15H12FIN4O2
Molecular Weight426.19 g/mol
Exact Mass426.00
IUPAC Name4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide
SMILESCONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C15H12FIN4O2/c1-23-21-15(22)9-3-5-12-10(7-18-20-12)14(9)19-13-4-2-8(17)6-11(13)16/h2-7,19H,1H3,(H,18,20)(H,21,22)
InChIKeyPJBCKFFOHMEAQE-UHFFFAOYSA-N
XLogP3.34
TPSA79.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.19
LogP ≤ 53.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide (CID 44603205) is 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide is CONC(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide?
The InChIKey is PJBCKFFOHMEAQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12FIN4O2/c1-23-21-15(22)9-3-5-12-10(7-18-20-12)14(9)19-13-4-2-8(17)6-11(13)16/h2-7,19H,1H3,(H,18,20)(H,21,22).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide?
4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide has a molecular weight of 426.19 g/mol, XLogP of 3.34, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-N-methoxy-1H-indazole-5-carboxamide is sourced from PubChem (CID 44603205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).