1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C20H24N4O2 — CID 39929190

IUPAC1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCCCCc1ccc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)cc1
InChIInChI=1S/C20H24N4O2/c1-4-5-6-7-14-8-10-15(11-9-14)22-19(25)16-12-13(2)21-18-17(16)20(26)23-24(18)3/h8-12H,4-7H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySGDIKDOBASVCKN-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.56
Rot. Bonds6

About 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 39929190) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID39929190
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCCCCc1ccc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)cc1
InChIInChI=1S/C20H24N4O2/c1-4-5-6-7-14-8-10-15(11-9-14)22-19(25)16-12-13(2)21-18-17(16)20(26)23-24(18)3/h8-12H,4-7H2,1-3H3,(H,22,25)(H,23,26)
InChIKeySGDIKDOBASVCKN-UHFFFAOYSA-N
XLogP3.56
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 39929190) is 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is CCCCCc1ccc(NC(=O)c2cc(C)nc3c2c(=O)[nH]n3C)cc1.
What is the InChIKey of 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is SGDIKDOBASVCKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-5-6-7-14-8-10-15(11-9-14)22-19(25)16-12-13(2)21-18-17(16)20(26)23-24(18)3/h8-12H,4-7H2,1-3H3,(H,22,25)(H,23,26).
What are the key properties of 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,6-dimethyl-3-oxo-N-(4-pentylphenyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 39929190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).