1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

C23H22N6O — CID 75453155

IUPAC1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccnc(C2CCCC2)n1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C23H22N6O/c30-23(28-20-10-11-24-21(27-20)17-8-4-5-9-17)19-12-18-14-26-29(22(18)25-13-19)15-16-6-2-1-3-7-16/h1-3,6-7,10-14,17H,4-5,8-9,15H2,(H,24,27,28,30)
InChIKeyJVIQNDUSWXORAJ-UHFFFAOYSA-N
MW398.47 g/mol
LogP4.18
Rot. Bonds5

About 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 75453155) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID75453155
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESO=C(Nc1ccnc(C2CCCC2)n1)c1cnc2c(cnn2Cc2ccccc2)c1
InChIInChI=1S/C23H22N6O/c30-23(28-20-10-11-24-21(27-20)17-8-4-5-9-17)19-12-18-14-26-29(22(18)25-13-19)15-16-6-2-1-3-7-16/h1-3,6-7,10-14,17H,4-5,8-9,15H2,(H,24,27,28,30)
InChIKeyJVIQNDUSWXORAJ-UHFFFAOYSA-N
XLogP4.18
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 75468059
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CID 32607487
1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
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1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624443
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CID 78891259
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
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1-benzyl-N-[4-(dimethylsulfamoyl)phenyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78836743
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
1-benzyl-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 75453155) is 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is O=C(Nc1ccnc(C2CCCC2)n1)c1cnc2c(cnn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is JVIQNDUSWXORAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O/c30-23(28-20-10-11-24-21(27-20)17-8-4-5-9-17)19-12-18-14-26-29(22(18)25-13-19)15-16-6-2-1-3-7-16/h1-3,6-7,10-14,17H,4-5,8-9,15H2,(H,24,27,28,30).
What are the key properties of 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 398.47 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(2-cyclopentylpyrimidin-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 75453155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).