N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C21H24N4O2 — CID 160596837

IUPACN-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NCC3CCCCC3)c12
InChIInChI=1S/C21H24N4O2/c1-13-19-17(21(27)22-12-14-5-3-2-4-6-14)11-18(23-20(19)25-24-13)15-7-9-16(26)10-8-15/h7-11,14,26H,2-6,12H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyRDSZIKBSELPMAB-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.95
Rot. Bonds4

About N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 160596837) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID160596837
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC NameN-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NCC3CCCCC3)c12
InChIInChI=1S/C21H24N4O2/c1-13-19-17(21(27)22-12-14-5-3-2-4-6-14)11-18(23-20(19)25-24-13)15-7-9-16(26)10-8-15/h7-11,14,26H,2-6,12H2,1H3,(H,22,27)(H,23,24,25)
InChIKeyRDSZIKBSELPMAB-UHFFFAOYSA-N
XLogP3.95
TPSA90.90 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591871
6-(4-hydroxyphenyl)-3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591864
3-methyl-6-(4-methylphenyl)-N-(piperidin-3-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119460537
N-(cyclopentylmethyl)-5-methyl-1H-pyrazole-4-carboxamide
CID 62400684
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 136508146
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(3-methyl-3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136507888
(2-benzylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507830
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 136507950
N-(cyclohexylmethyl)-5-(4-methylphenyl)-1,2-oxazole-4-carboxamide
CID 59170050
(1S)-2-[5-cyano-6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-N-(cyclohexylmethyl)cyclopropane-1-carboxamide
CID 157237117
2-amino-N-(cyclopentylmethyl)-5-hydroxybenzamide
CID 107074042
N-(cyclohexylmethyl)-3-hydroxy-2-methylbenzamide
CID 82826551

Frequently Asked Questions

What is the IUPAC name of N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 160596837) is N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NCC3CCCCC3)c12.
What is the InChIKey of N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is RDSZIKBSELPMAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-13-19-17(21(27)22-12-14-5-3-2-4-6-14)11-18(23-20(19)25-24-13)15-7-9-16(26)10-8-15/h7-11,14,26H,2-6,12H2,1H3,(H,22,27)(H,23,24,25).
What are the key properties of N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 364.45 g/mol, XLogP of 3.95, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 160596837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).