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

C16H14FIN4O2 — CID 44603206

IUPAC4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide
SMILESCON(C)C(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14FIN4O2/c1-22(24-2)16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,1-2H3,(H,19,21)
InChIKeyYMEOJJGGNHUEON-UHFFFAOYSA-N
MW440.22 g/mol
LogP3.68
Rot. Bonds4

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

4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide (PubChem CID 44603206) has the molecular formula C16H14FIN4O2 and a molecular weight of 440.22 g/mol. Its IUPAC name is 4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide
PubChem CID44603206
Molecular FormulaC16H14FIN4O2
Molecular Weight440.22 g/mol
Exact Mass440.01
IUPAC Name4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide
SMILESCON(C)C(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14FIN4O2/c1-22(24-2)16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,1-2H3,(H,19,21)
InChIKeyYMEOJJGGNHUEON-UHFFFAOYSA-N
XLogP3.68
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.22
LogP ≤ 53.68
H-Bond Donors ≤ 52
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-N-methyl-1H-indazole-5-carboxamide?
The IUPAC name of 4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide (CID 44603206) is 4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide.
What is the SMILES notation for 4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide?
The canonical SMILES for 4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide is CON(C)C(=O)c1ccc2[nH]ncc2c1Nc1ccc(I)cc1F.
What is the InChIKey of 4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide?
The InChIKey is YMEOJJGGNHUEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIN4O2/c1-22(24-2)16(23)10-4-6-13-11(8-19-21-13)15(10)20-14-5-3-9(18)7-12(14)17/h3-8,20H,1-2H3,(H,19,21).
What are the key properties of 4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide?
4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide has a molecular weight of 440.22 g/mol, XLogP of 3.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-iodoanilino)-N-methoxy-N-methyl-1H-indazole-5-carboxamide is sourced from PubChem (CID 44603206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).