9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide

C17H21N7O2 — CID 95802947

IUPAC9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide
SMILESCc1c(-c2nc(C(N)=O)c3[nH]c(=O)n(C4CCCCC4)c3n2)cnn1C
InChIInChI=1S/C17H21N7O2/c1-9-11(8-19-23(9)2)15-20-12(14(18)25)13-16(22-15)24(17(26)21-13)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H2,18,25)(H,21,26)
InChIKeyRFQZKDHPOOOYHD-UHFFFAOYSA-N
MW355.40 g/mol
LogP1.43
Rot. Bonds3

About 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide

9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide (PubChem CID 95802947) has the molecular formula C17H21N7O2 and a molecular weight of 355.40 g/mol. Its IUPAC name is 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide.

Molecular Properties

Compound Name9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide
PubChem CID95802947
Molecular FormulaC17H21N7O2
Molecular Weight355.40 g/mol
Exact Mass355.18
IUPAC Name9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide
SMILESCc1c(-c2nc(C(N)=O)c3[nH]c(=O)n(C4CCCCC4)c3n2)cnn1C
InChIInChI=1S/C17H21N7O2/c1-9-11(8-19-23(9)2)15-20-12(14(18)25)13-16(22-15)24(17(26)21-13)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H2,18,25)(H,21,26)
InChIKeyRFQZKDHPOOOYHD-UHFFFAOYSA-N
XLogP1.43
TPSA124.48 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.40
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide?
The IUPAC name of 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide (CID 95802947) is 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide.
What is the SMILES notation for 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide?
The canonical SMILES for 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide is Cc1c(-c2nc(C(N)=O)c3[nH]c(=O)n(C4CCCCC4)c3n2)cnn1C.
What is the InChIKey of 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide?
The InChIKey is RFQZKDHPOOOYHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N7O2/c1-9-11(8-19-23(9)2)15-20-12(14(18)25)13-16(22-15)24(17(26)21-13)10-6-4-3-5-7-10/h8,10H,3-7H2,1-2H3,(H2,18,25)(H,21,26).
What are the key properties of 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide?
9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide has a molecular weight of 355.40 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclohexyl-2-(1,5-dimethylpyrazol-4-yl)-8-oxo-7H-purine-6-carboxamide is sourced from PubChem (CID 95802947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).