8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide

C27H24FN7O — CID 170765863

IUPAC8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide
SMILESO=C(NCc1cc(F)cc(-c2cnn(-c3ccccc3)c2)c1)c1ncnc2nc(C3CCCC3)[nH]c12
InChIInChI=1S/C27H24FN7O/c28-21-11-17(10-19(12-21)20-14-32-35(15-20)22-8-2-1-3-9-22)13-29-27(36)24-23-26(31-16-30-24)34-25(33-23)18-6-4-5-7-18/h1-3,8-12,14-16,18H,4-7,13H2,(H,29,36)(H,30,31,33,34)
InChIKeyDEJVHPLCTUZTJW-UHFFFAOYSA-N
MW481.54 g/mol
LogP4.93
Rot. Bonds6

About 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide

8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide (PubChem CID 170765863) has the molecular formula C27H24FN7O and a molecular weight of 481.54 g/mol. Its IUPAC name is 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide.

Molecular Properties

Compound Name8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide
PubChem CID170765863
Molecular FormulaC27H24FN7O
Molecular Weight481.54 g/mol
Exact Mass481.20
IUPAC Name8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide
SMILESO=C(NCc1cc(F)cc(-c2cnn(-c3ccccc3)c2)c1)c1ncnc2nc(C3CCCC3)[nH]c12
InChIInChI=1S/C27H24FN7O/c28-21-11-17(10-19(12-21)20-14-32-35(15-20)22-8-2-1-3-9-22)13-29-27(36)24-23-26(31-16-30-24)34-25(33-23)18-6-4-5-7-18/h1-3,8-12,14-16,18H,4-7,13H2,(H,29,36)(H,30,31,33,34)
InChIKeyDEJVHPLCTUZTJW-UHFFFAOYSA-N
XLogP4.93
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.54
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide?
The IUPAC name of 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide (CID 170765863) is 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide.
What is the SMILES notation for 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide?
The canonical SMILES for 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide is O=C(NCc1cc(F)cc(-c2cnn(-c3ccccc3)c2)c1)c1ncnc2nc(C3CCCC3)[nH]c12.
What is the InChIKey of 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide?
The InChIKey is DEJVHPLCTUZTJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24FN7O/c28-21-11-17(10-19(12-21)20-14-32-35(15-20)22-8-2-1-3-9-22)13-29-27(36)24-23-26(31-16-30-24)34-25(33-23)18-6-4-5-7-18/h1-3,8-12,14-16,18H,4-7,13H2,(H,29,36)(H,30,31,33,34).
What are the key properties of 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide?
8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide has a molecular weight of 481.54 g/mol, XLogP of 4.93, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-cyclopentyl-N-[[3-fluoro-5-(1-phenylpyrazol-4-yl)phenyl]methyl]-7H-purine-6-carboxamide is sourced from PubChem (CID 170765863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).