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

C24H17N5O3 — CID 57474705

IUPAC2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1-c1ccccc1
InChIInChI=1S/C24H17N5O3/c25-21(31)19-20-23(28-22(26-19)15-9-6-10-16(30)13-15)29(24(32)27-20)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,30H,(H2,25,31)(H,27,32)
InChIKeySYSDHTKNMONKFW-UHFFFAOYSA-N
MW423.43 g/mol
LogP3.25
Rot. Bonds4

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

2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide (PubChem CID 57474705) has the molecular formula C24H17N5O3 and a molecular weight of 423.43 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide
PubChem CID57474705
Molecular FormulaC24H17N5O3
Molecular Weight423.43 g/mol
Exact Mass423.13
IUPAC Name2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1-c1ccccc1
InChIInChI=1S/C24H17N5O3/c25-21(31)19-20-23(28-22(26-19)15-9-6-10-16(30)13-15)29(24(32)27-20)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,30H,(H2,25,31)(H,27,32)
InChIKeySYSDHTKNMONKFW-UHFFFAOYSA-N
XLogP3.25
TPSA126.89 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.43
LogP ≤ 53.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide?
The IUPAC name of 2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide (CID 57474705) is 2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccc(O)c2)nc2c1[nH]c(=O)n2-c1ccccc1-c1ccccc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide?
The InChIKey is SYSDHTKNMONKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H17N5O3/c25-21(31)19-20-23(28-22(26-19)15-9-6-10-16(30)13-15)29(24(32)27-20)18-12-5-4-11-17(18)14-7-2-1-3-8-14/h1-13,30H,(H2,25,31)(H,27,32).
What are the key properties of 2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide?
2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide has a molecular weight of 423.43 g/mol, XLogP of 3.25, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide is sourced from PubChem (CID 57474705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).