N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

C24H24N4O — CID 46559207

IUPACN,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccccc1C
InChIInChI=1S/C24H24N4O/c1-4-27(22-14-10-9-11-17(22)3)24(29)19-15-21(18-12-7-6-8-13-18)26-23-20(19)16-25-28(23)5-2/h6-16H,4-5H2,1-3H3
InChIKeyRFCQWCROEMNPRS-UHFFFAOYSA-N
MW384.48 g/mol
LogP5.09
Rot. Bonds5

About N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide

N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 46559207) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID46559207
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC NameN,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccccc1C
InChIInChI=1S/C24H24N4O/c1-4-27(22-14-10-9-11-17(22)3)24(29)19-15-21(18-12-7-6-8-13-18)26-23-20(19)16-25-28(23)5-2/h6-16H,4-5H2,1-3H3
InChIKeyRFCQWCROEMNPRS-UHFFFAOYSA-N
XLogP5.09
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.48
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide (CID 46559207) is N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is CCN(C(=O)c1cc(-c2ccccc2)nc2c1cnn2CC)c1ccccc1C.
What is the InChIKey of N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is RFCQWCROEMNPRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-4-27(22-14-10-9-11-17(22)3)24(29)19-15-21(18-12-7-6-8-13-18)26-23-20(19)16-25-28(23)5-2/h6-16H,4-5H2,1-3H3.
What are the key properties of N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide?
N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 5.09, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-diethyl-N-(2-methylphenyl)-6-phenylpyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 46559207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).