N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

C21H20N4O2S — CID 55866076

IUPACN-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2O)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C21H20N4O2S/c1-14-10-17(21(27)24(2)12-15-6-3-4-8-19(15)26)18-11-22-25(20(18)23-14)13-16-7-5-9-28-16/h3-11,26H,12-13H2,1-2H3
InChIKeyPNZXCFFXQOJHSW-UHFFFAOYSA-N
MW392.48 g/mol
LogP3.83
Rot. Bonds5

About N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55866076) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55866076
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC NameN-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)N(C)Cc2ccccc2O)c2cnn(Cc3cccs3)c2n1
InChIInChI=1S/C21H20N4O2S/c1-14-10-17(21(27)24(2)12-15-6-3-4-8-19(15)26)18-11-22-25(20(18)23-14)13-16-7-5-9-28-16/h3-11,26H,12-13H2,1-2H3
InChIKeyPNZXCFFXQOJHSW-UHFFFAOYSA-N
XLogP3.83
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'mannich_A(296)', 'substructure': 'N/A'}

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Related Compounds

N-[(4-bromothiophen-2-yl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55780922
N-(2,3-dimethylphenyl)-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55917465
6-methyl-N,1-bis(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32656426
N-(2-hydroxyethyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 78847082
N-(4-chlorophenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545374
6-methyl-1-(thiophen-2-ylmethyl)-N-[2-(2,2,2-trifluoroethylcarbamoyl)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 36821529
6-methyl-N-[(4-methylsulfonylphenyl)methyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55694993
6-methyl-N-[2-(2-methylbenzimidazol-1-yl)ethyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55543196
6-methyl-N-[2-methyl-3-(methylcarbamoyl)phenyl]-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55660500
N-(5-fluoro-2-methylphenyl)-6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55545378
1-[6-methyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carbonyl]piperidine-4-carboxamide
CID 32679602
6-methyl-N-(1-phenylpyrazol-3-yl)-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 55554693

Frequently Asked Questions

What is the IUPAC name of N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 55866076) is N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)N(C)Cc2ccccc2O)c2cnn(Cc3cccs3)c2n1.
What is the InChIKey of N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is PNZXCFFXQOJHSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14-10-17(21(27)24(2)12-15-6-3-4-8-19(15)26)18-11-22-25(20(18)23-14)13-16-7-5-9-28-16/h3-11,26H,12-13H2,1-2H3.
What are the key properties of N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide?
N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 392.48 g/mol, XLogP of 3.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-hydroxyphenyl)methyl]-N,6-dimethyl-1-(thiophen-2-ylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55866076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).