9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide

C18H12FN5O3 — CID 7519656

IUPAC9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1F
InChIInChI=1S/C18H12FN5O3/c19-11-6-1-2-7-12(11)24-17-14(22-18(24)27)13(15(20)26)21-16(23-17)9-4-3-5-10(25)8-9/h1-8,25H,(H2,20,26)(H,22,27)
InChIKeySUAKGCQXZJVTLK-UHFFFAOYSA-N
MW365.32 g/mol
LogP1.72
Rot. Bonds3

About 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide

9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 7519656) has the molecular formula C18H12FN5O3 and a molecular weight of 365.32 g/mol. Its IUPAC name is 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID7519656
Molecular FormulaC18H12FN5O3
Molecular Weight365.32 g/mol
Exact Mass365.09
IUPAC Name9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1F
InChIInChI=1S/C18H12FN5O3/c19-11-6-1-2-7-12(11)24-17-14(22-18(24)27)13(15(20)26)21-16(23-17)9-4-3-5-10(25)8-9/h1-8,25H,(H2,20,26)(H,22,27)
InChIKeySUAKGCQXZJVTLK-UHFFFAOYSA-N
XLogP1.72
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.32
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 7519656) is 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1F.
What is the InChIKey of 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is SUAKGCQXZJVTLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O3/c19-11-6-1-2-7-12(11)24-17-14(22-18(24)27)13(15(20)26)21-16(23-17)9-4-3-5-10(25)8-9/h1-8,25H,(H2,20,26)(H,22,27).
What are the key properties of 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 365.32 g/mol, XLogP of 1.72, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(2-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 7519656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).