6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide

C23H21ClN4O — CID 134791735

IUPAC6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCCCc3ccccc3)cc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C23H21ClN4O/c1-28-22-20(15-26-28)19(14-21(27-22)17-9-11-18(24)12-10-17)23(29)25-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,29)
InChIKeyXMEPTIXRWRGMFA-UHFFFAOYSA-N
MW404.90 g/mol
LogP4.65
Rot. Bonds6

About 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide

6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 134791735) has the molecular formula C23H21ClN4O and a molecular weight of 404.90 g/mol. Its IUPAC name is 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID134791735
Molecular FormulaC23H21ClN4O
Molecular Weight404.90 g/mol
Exact Mass404.14
IUPAC Name6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCn1ncc2c(C(=O)NCCCc3ccccc3)cc(-c3ccc(Cl)cc3)nc21
InChIInChI=1S/C23H21ClN4O/c1-28-22-20(15-26-28)19(14-21(27-22)17-9-11-18(24)12-10-17)23(29)25-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,29)
InChIKeyXMEPTIXRWRGMFA-UHFFFAOYSA-N
XLogP4.65
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.90
LogP ≤ 54.65
H-Bond Donors ≤ 51
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 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide (CID 134791735) is 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide is Cn1ncc2c(C(=O)NCCCc3ccccc3)cc(-c3ccc(Cl)cc3)nc21.
What is the InChIKey of 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XMEPTIXRWRGMFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4O/c1-28-22-20(15-26-28)19(14-21(27-22)17-9-11-18(24)12-10-17)23(29)25-13-5-8-16-6-3-2-4-7-16/h2-4,6-7,9-12,14-15H,5,8,13H2,1H3,(H,25,29).
What are the key properties of 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide?
6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 404.90 g/mol, XLogP of 4.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-chlorophenyl)-1-methyl-N-(3-phenylpropyl)pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 134791735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).