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

C16H10FN5O2S — CID 7519811

IUPAC2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1cccs1
InChIInChI=1S/C16H10FN5O2S/c17-9-4-1-3-8(7-9)14-19-11(13(18)23)12-15(21-14)22(16(24)20-12)10-5-2-6-25-10/h1-7H,(H2,18,23)(H,20,24)
InChIKeyBZXUPQJMMFNTBR-UHFFFAOYSA-N
MW355.35 g/mol
LogP2.08
Rot. Bonds3

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

2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide (PubChem CID 7519811) has the molecular formula C16H10FN5O2S and a molecular weight of 355.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide.

Molecular Properties

Compound Name2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
PubChem CID7519811
Molecular FormulaC16H10FN5O2S
Molecular Weight355.35 g/mol
Exact Mass355.05
IUPAC Name2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
SMILESNC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1cccs1
InChIInChI=1S/C16H10FN5O2S/c17-9-4-1-3-8(7-9)14-19-11(13(18)23)12-15(21-14)22(16(24)20-12)10-5-2-6-25-10/h1-7H,(H2,18,23)(H,20,24)
InChIKeyBZXUPQJMMFNTBR-UHFFFAOYSA-N
XLogP2.08
TPSA106.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,4-dichlorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide
CID 7519853
9-(3,4-dimethoxyphenyl)-2-(3-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7267847
9-(2,3-dimethoxyphenyl)-2-(3-fluorophenyl)-8-oxo-7H-purine-6-carboxamide
CID 7599574
2-(3-hydroxyphenyl)-8-oxo-9-phenyl-7H-purine-6-carboxamide
CID 16825178
2,9-bis(3-methoxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 7422839
9-(4-chlorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603329
2-(3-hydroxyphenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 23603381
9-(2-fluorophenyl)-8-oxo-2-[4-(trifluoromethyl)phenyl]-7H-purine-6-carboxamide
CID 16822566
9-cyclopentyl-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboxamide
CID 24937986
2-(3-hydroxyphenyl)-8-oxo-9-(2-phenylphenyl)-7H-purine-6-carboxamide
CID 57474705
2-(3,4-difluorophenyl)-9-(4-methylphenyl)-8-oxo-7H-purine-6-carboxamide
CID 16806755
9-(3-fluorophenyl)-2-(3-hydroxyphenyl)-8-oxo-7H-purine-6-carboximidamide
CID 150272610

Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide?
The IUPAC name of 2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide (CID 7519811) is 2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide.
What is the SMILES notation for 2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide?
The canonical SMILES for 2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide is NC(=O)c1nc(-c2cccc(F)c2)nc2c1[nH]c(=O)n2-c1cccs1.
What is the InChIKey of 2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide?
The InChIKey is BZXUPQJMMFNTBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN5O2S/c17-9-4-1-3-8(7-9)14-19-11(13(18)23)12-15(21-14)22(16(24)20-12)10-5-2-6-25-10/h1-7H,(H2,18,23)(H,20,24).
What are the key properties of 2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide?
2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide has a molecular weight of 355.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-8-oxo-9-thiophen-2-yl-7H-purine-6-carboxamide is sourced from PubChem (CID 7519811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).