5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

C16H14FIN4O3 — CID 42642654

IUPAC5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NOCCO)c1ccc2cncn2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
InChIKeyRFWVETIZUQEJEF-UHFFFAOYSA-N
MW456.22 g/mol
LogP2.48
Rot. Bonds6

About 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide

5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide (PubChem CID 42642654) has the molecular formula C16H14FIN4O3 and a molecular weight of 456.22 g/mol. Its IUPAC name is 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide.

Molecular Properties

Compound Name5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
PubChem CID42642654
Molecular FormulaC16H14FIN4O3
Molecular Weight456.22 g/mol
Exact Mass456.01
IUPAC Name5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide
SMILESO=C(NOCCO)c1ccc2cncn2c1Nc1ccc(I)cc1F
InChIInChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24)
InChIKeyRFWVETIZUQEJEF-UHFFFAOYSA-N
XLogP2.48
TPSA87.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.22
LogP ≤ 52.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-(2-Fluoro-4-iodo-phenylamino)-imidazo[1,5-a]pyrazine-6-carboxylic acid (2-hydroxy-ethoxy)-amide
CID 44135978
8-[(2-Fluoro-4-iodophenyl)amino]-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-7-carboxamide
CID 44137226
5-(2-Fluoro-4-iodo-phenylamino)-imidazo[1,5-a]pyrazine-6-carboxylic acid ((S)-2-hydroxy-propoxy)-amide
CID 44135979
8-Fluoro-5-(2-fluoro-4-iodo-phenylamino)-imidazo[1,5-a]pyridine-6-carboxylic acid (2-hydroxy-ethoxy)-amide
CID 44137938
N-hydroxy-4-purin-7-ylbenzamide
CID 155545502
Nedometinib
CID 146585168
N-[(1R,2S)-2-(hydroxycarbamoyl)cyclohexyl]-6-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]pyridine-3-carboxamide
CID 56661881
N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide
CID 56678963
N-[(1R,2S)-2-(hydroxycarbamoyl)cyclopentyl]-6-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]pyridine-3-carboxamide
CID 56678964
5-(2-fluoro-4-iodoanilino)-N-[(2R)-3-hydroxy-2-methylpropoxy]imidazo[1,5-a]pyrazine-6-carboxamide
CID 118713119
5-fluoro-N-hydroxy-6-[(2-methylbenzimidazol-1-yl)methyl]pyridine-3-carboxamide
CID 156213619
6-[[2-(difluoromethyl)benzimidazol-1-yl]methyl]-5-fluoro-N-hydroxypyridine-3-carboxamide
CID 156240091

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide?
The IUPAC name of 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide (CID 42642654) is 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide.
What is the SMILES notation for 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide?
The canonical SMILES for 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide is O=C(NOCCO)c1ccc2cncn2c1Nc1ccc(I)cc1F.
What is the InChIKey of 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide?
The InChIKey is RFWVETIZUQEJEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14FIN4O3/c17-13-7-10(18)1-4-14(13)20-15-12(16(24)21-25-6-5-23)3-2-11-8-19-9-22(11)15/h1-4,7-9,20,23H,5-6H2,(H,21,24).
What are the key properties of 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide?
5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide has a molecular weight of 456.22 g/mol, XLogP of 2.48, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-iodoanilino)-N-(2-hydroxyethoxy)imidazo[1,5-a]pyridine-6-carboxamide is sourced from PubChem (CID 42642654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).