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

C18H12FN5O3 — CID 24937729

IUPAC9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(F)c1
InChIInChI=1S/C18H12FN5O3/c19-10-4-2-5-11(8-10)24-17-14(22-18(24)27)13(15(20)26)21-16(23-17)9-3-1-6-12(25)7-9/h1-8,25H,(H2,20,26)(H,22,27)
InChIKeyHMCPWRONXIQANG-UHFFFAOYSA-N
MW365.32 g/mol
LogP1.72
Rot. Bonds3

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

9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 24937729) has the molecular formula C18H12FN5O3 and a molecular weight of 365.32 g/mol. Its IUPAC name is 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
PubChem CID24937729
Molecular FormulaC18H12FN5O3
Molecular Weight365.32 g/mol
Exact Mass365.09
IUPAC Name9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(F)c1
InChIInChI=1S/C18H12FN5O3/c19-10-4-2-5-11(8-10)24-17-14(22-18(24)27)13(15(20)26)21-16(23-17)9-3-1-6-12(25)7-9/h1-8,25H,(H2,20,26)(H,22,27)
InChIKeyHMCPWRONXIQANG-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-(3-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

Related Compounds

2-(3-hydroxy-4-methoxyphenyl)-9-(2-methoxyphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 7196975
3-(1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl)phenolate
CID 848601
2-(2-methoxyphenyl)-9-(3-methylphenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 3239826
2-(2-ethoxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 3245299
2-(2,3-dimethoxyphenyl)-8-oxo-9-phenyl-8,9-dihydro-7H-purine-6-carboxamide
CID 5310448
2-(4-hydroxyphenyl)-9-(2-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 136037537
4-(6-aminocarbonyl-8-oxidanylidene-9-phenyl-7H-purin-2-yl)benzoic acid
CID 155883013
9-[2-(3,4-dichlorophenyl)ethyl]-2-(3-hydroxyphenyl)-8-oxidanylidene-7~{H}-purine-6-carboxamide
CID 168010740
2-(2-ethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310561
2-(2,5-dimethoxyphenyl)-9-(4-fluorophenyl)-8-oxo-8,9-dihydro-7H-purine-6-carboxamide
CID 5310589
2-cyclohexyl-9-(4-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7196922
2-(4-ethoxyphenyl)-8-oxo-9-phenyl-8,9-dihydro-7H-purine-6-carboxamide
CID 20854913

Frequently Asked Questions

What is the IUPAC name of 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide (CID 24937729) is 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1cccc(F)c1.
What is the InChIKey of 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is HMCPWRONXIQANG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O3/c19-10-4-2-5-11(8-10)24-17-14(22-18(24)27)13(15(20)26)21-16(23-17)9-3-1-6-12(25)7-9/h1-8,25H,(H2,20,26)(H,22,27).
What are the key properties of 9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide?
9-(3-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-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 24937729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).