[3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol

C24H25N5O — CID 58483597

IUPAC[3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(N4CCNCC4)cc3)cc(CO)c12
InChIInChI=1S/C24H25N5O/c1-17-23-19(16-30)15-22(26-24(23)29(27-17)21-5-3-2-4-6-21)18-7-9-20(10-8-18)28-13-11-25-12-14-28/h2-10,15,25,30H,11-14,16H2,1H3
InChIKeyYLPHPYMVPIGXNG-UHFFFAOYSA-N
MW399.50 g/mol
LogP3.30
Rot. Bonds4

About [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol

[3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol (PubChem CID 58483597) has the molecular formula C24H25N5O and a molecular weight of 399.50 g/mol. Its IUPAC name is [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol.

Molecular Properties

Compound Name[3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
PubChem CID58483597
Molecular FormulaC24H25N5O
Molecular Weight399.50 g/mol
Exact Mass399.21
IUPAC Name[3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol
SMILESCc1nn(-c2ccccc2)c2nc(-c3ccc(N4CCNCC4)cc3)cc(CO)c12
InChIInChI=1S/C24H25N5O/c1-17-23-19(16-30)15-22(26-24(23)29(27-17)21-5-3-2-4-6-21)18-7-9-20(10-8-18)28-13-11-25-12-14-28/h2-10,15,25,30H,11-14,16H2,1H3
InChIKeyYLPHPYMVPIGXNG-UHFFFAOYSA-N
XLogP3.30
TPSA66.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.50
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol?
The IUPAC name of [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol (CID 58483597) is [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol.
What is the SMILES notation for [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol?
The canonical SMILES for [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol is Cc1nn(-c2ccccc2)c2nc(-c3ccc(N4CCNCC4)cc3)cc(CO)c12.
What is the InChIKey of [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol?
The InChIKey is YLPHPYMVPIGXNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O/c1-17-23-19(16-30)15-22(26-24(23)29(27-17)21-5-3-2-4-6-21)18-7-9-20(10-8-18)28-13-11-25-12-14-28/h2-10,15,25,30H,11-14,16H2,1H3.
What are the key properties of [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol?
[3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol has a molecular weight of 399.50 g/mol, XLogP of 3.30, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-1-phenyl-6-(4-piperazin-1-ylphenyl)pyrazolo[5,4-b]pyridin-4-yl]methanol is sourced from PubChem (CID 58483597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).