1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide

C20H24N4O2 — CID 71562897

IUPAC1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C20H24N4O2/c1-4-5-9-12-24-13-16(19(26)21-15-10-7-6-8-11-15)18(25)17-14(2)22-23(3)20(17)24/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,21,26)
InChIKeyVRJHLQCRQKFOQK-UHFFFAOYSA-N
MW352.44 g/mol
LogP3.49
Rot. Bonds6

About 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide

1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 71562897) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide
PubChem CID71562897
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide
SMILESCCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2c(C)nn(C)c21
InChIInChI=1S/C20H24N4O2/c1-4-5-9-12-24-13-16(19(26)21-15-10-7-6-8-11-15)18(25)17-14(2)22-23(3)20(17)24/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,21,26)
InChIKeyVRJHLQCRQKFOQK-UHFFFAOYSA-N
XLogP3.49
TPSA68.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide (CID 71562897) is 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide is CCCCCn1cc(C(=O)Nc2ccccc2)c(=O)c2c(C)nn(C)c21.
What is the InChIKey of 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is VRJHLQCRQKFOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-4-5-9-12-24-13-16(19(26)21-15-10-7-6-8-11-15)18(25)17-14(2)22-23(3)20(17)24/h6-8,10-11,13H,4-5,9,12H2,1-3H3,(H,21,26).
What are the key properties of 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide?
1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 352.44 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-oxo-7-pentyl-N-phenylpyrazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 71562897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).