7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid

C13H10FIN4O2 — CID 173046149

IUPAC7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1=Cn2cncc2CN1Nc1ccc(I)cc1F
InChIInChI=1S/C13H10FIN4O2/c14-10-3-8(15)1-2-11(10)17-19-5-9-4-16-7-18(9)6-12(19)13(20)21/h1-4,6-7,17H,5H2,(H,20,21)
InChIKeyJAZQSZZMQKVPNS-UHFFFAOYSA-N
MW400.15 g/mol
LogP2.35
Rot. Bonds3

About 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid

7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid (PubChem CID 173046149) has the molecular formula C13H10FIN4O2 and a molecular weight of 400.15 g/mol. Its IUPAC name is 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid.

Molecular Properties

Compound Name7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid
PubChem CID173046149
Molecular FormulaC13H10FIN4O2
Molecular Weight400.15 g/mol
Exact Mass399.98
IUPAC Name7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid
SMILESO=C(O)C1=Cn2cncc2CN1Nc1ccc(I)cc1F
InChIInChI=1S/C13H10FIN4O2/c14-10-3-8(15)1-2-11(10)17-19-5-9-4-16-7-18(9)6-12(19)13(20)21/h1-4,6-7,17H,5H2,(H,20,21)
InChIKeyJAZQSZZMQKVPNS-UHFFFAOYSA-N
XLogP2.35
TPSA70.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.15
LogP ≤ 52.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(cyclopropylmethoxy)-7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxamide
CID 90876061
3-(2-fluoro-4-iodoanilino)-1-methylpyrrolo[3,2-c]pyridine-2-carboxylic acid
CID 59596445
2-fluoro-6-(2-fluoro-4-iodoanilino)benzoic acid
CID 169274158
6-fluoro-7-(2-fluoro-4-iodoanilino)-1,2,3,5-tetrahydroindolizine-8-carboxylic acid
CID 142788860
3-fluoro-N-[1-(2-fluoroethyl)azetidin-3-yl]-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 167121267
1-(2-fluoro-4-iodophenyl)-3-pyrazin-2-ylurea
CID 110492640
3-(2-fluoro-4-iodoanilino)-N-morpholin-4-ylpyridine-4-carboxamide
CID 11575838
3-[[2,3,4,5-tetrafluoro-6-(2-fluoro-4-iodoanilino)benzoyl]amino]azetidine-1-carboxylic acid
CID 174217207
N-(1-acetylazetidin-3-yl)-3-fluoro-5-(2-fluoro-4-iodoanilino)pyridine-4-carboxamide
CID 167121421
1-cyclohexyl-3-(2-fluoro-4-iodophenyl)urea
CID 1379880
N-(2-fluoro-4-iodophenyl)-2-phenylacetamide
CID 2993907
5-acetyl-4-fluoro-2-(2-fluoro-4-iodoanilino)-1-methylpyrrole-3-carboxylic acid
CID 25188086

Frequently Asked Questions

What is the IUPAC name of 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid?
The IUPAC name of 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid (CID 173046149) is 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid.
What is the SMILES notation for 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid?
The canonical SMILES for 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid is O=C(O)C1=Cn2cncc2CN1Nc1ccc(I)cc1F.
What is the InChIKey of 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid?
The InChIKey is JAZQSZZMQKVPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10FIN4O2/c14-10-3-8(15)1-2-11(10)17-19-5-9-4-16-7-18(9)6-12(19)13(20)21/h1-4,6-7,17H,5H2,(H,20,21).
What are the key properties of 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid?
7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid has a molecular weight of 400.15 g/mol, XLogP of 2.35, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-fluoro-4-iodoanilino)-8H-imidazo[1,5-a]pyrazine-6-carboxylic acid is sourced from PubChem (CID 173046149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).