1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C23H22N4O3 — CID 24624443

IUPAC1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1OC
InChIInChI=1S/C23H22N4O3/c1-15-9-20(29-2)21(30-3)11-19(15)26-23(28)18-10-17-13-25-27(22(17)24-12-18)14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyNQKJQZDGLHXVQT-UHFFFAOYSA-N
MW402.45 g/mol
LogP4.06
Rot. Bonds6

About 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide

1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 24624443) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID24624443
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCOc1cc(C)c(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1OC
InChIInChI=1S/C23H22N4O3/c1-15-9-20(29-2)21(30-3)11-19(15)26-23(28)18-10-17-13-25-27(22(17)24-12-18)14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,26,28)
InChIKeyNQKJQZDGLHXVQT-UHFFFAOYSA-N
XLogP4.06
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-N-(3-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24624200
1-benzyl-N-(1-methylpyrazol-4-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 32607487
1-benzyl-N-(2-bromo-4-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78891259
1-benzyl-N-(3-methylbutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 43042463
1-benzyl-N-(4,5-dichloro-2-pyridinyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 75468059
1-[(2,4-dimethoxyphenyl)methyl]-N-(2-fluorophenyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 55631434
1-benzyl-N-(1-hydroxybutan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 110886300
1-benzyl-N-[2-[(3-fluoro-4-methylbenzoyl)amino]ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 24668547
1-benzyl-N-(1-hydroxypropan-2-yl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 78856623
N-(4-chloro-2,5-dimethoxyphenyl)-1-[(2,4-dimethoxyphenyl)methyl]pyrazolo[3,4-b]pyridine-5-carboxamide
CID 46409802
1-benzyl-N-(2-ethoxyethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
CID 87020146
1-benzyl-N-methoxy-N-methylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 24688178

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 24624443) is 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is COc1cc(C)c(NC(=O)c2cnc3c(cnn3Cc3ccccc3)c2)cc1OC.
What is the InChIKey of 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is NQKJQZDGLHXVQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-15-9-20(29-2)21(30-3)11-19(15)26-23(28)18-10-17-13-25-27(22(17)24-12-18)14-16-7-5-4-6-8-16/h4-13H,14H2,1-3H3,(H,26,28).
What are the key properties of 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 402.45 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-(4,5-dimethoxy-2-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 24624443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).