6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

C26H26N4O2 — CID 55689006

IUPAC6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(COc4ccccc4)cc3)c12
InChIInChI=1S/C26H26N4O2/c1-17-24-22(14-23(20-12-13-20)28-25(24)30(2)29-17)26(31)27-15-18-8-10-19(11-9-18)16-32-21-6-4-3-5-7-21/h3-11,14,20H,12-13,15-16H2,1-2H3,(H,27,31)
InChIKeyNLZRAFCWCJMTLL-UHFFFAOYSA-N
MW426.52 g/mol
LogP4.66
Rot. Bonds7

About 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55689006) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55689006
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(COc4ccccc4)cc3)c12
InChIInChI=1S/C26H26N4O2/c1-17-24-22(14-23(20-12-13-20)28-25(24)30(2)29-17)26(31)27-15-18-8-10-19(11-9-18)16-32-21-6-4-3-5-7-21/h3-11,14,20H,12-13,15-16H2,1-2H3,(H,27,31)
InChIKeyNLZRAFCWCJMTLL-UHFFFAOYSA-N
XLogP4.66
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821533
6-cyclopropyl-N-[[3-(ethylcarbamoyl)phenyl]methyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 55724425
6-cyclopropyl-1,3-dimethyl-N-[(3-sulfamoylphenyl)methyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 38321023
6-cyclopropyl-N-(2-hydroxypropyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 110886666
6-cyclopropyl-N'-(2-fluorobenzoyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carbohydrazide
CID 31761752
6-cyclopropyl-N-[2-(2-methoxyphenyl)ethyl]-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 31700057
N-[(2S)-2-anilino-3-methylbutyl]-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95303336
6-cyclopropyl-1,3-dimethyl-N-prop-2-enylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 16609834
N-butyl-6-cyclopropyl-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 46514383
6-cyclopropyl-1,3-dimethyl-N-[2-(2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazolo[5,4-b]pyridine-4-carboxamide
CID 166183089
6-cyclopropyl-N-(3,3-dimethyl-2-oxobutyl)-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 95753508
6-cyclopropyl-N-ethoxy-1,3-dimethylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 52555845

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide (CID 55689006) is 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is Cc1nn(C)c2nc(C3CC3)cc(C(=O)NCc3ccc(COc4ccccc4)cc3)c12.
What is the InChIKey of 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NLZRAFCWCJMTLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-17-24-22(14-23(20-12-13-20)28-25(24)30(2)29-17)26(31)27-15-18-8-10-19(11-9-18)16-32-21-6-4-3-5-7-21/h3-11,14,20H,12-13,15-16H2,1-2H3,(H,27,31).
What are the key properties of 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide?
6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 4.66, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-1,3-dimethyl-N-[[4-(phenoxymethyl)phenyl]methyl]pyrazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55689006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).