3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C21H25N5O2 — CID 136591756

IUPAC3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NC3CCCN(C)C3)c12
InChIInChI=1S/C21H25N5O2/c1-3-17-19-16(21(28)22-14-5-4-10-26(2)12-14)11-18(23-20(19)25-24-17)13-6-8-15(27)9-7-13/h6-9,11,14,27H,3-5,10,12H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKeyBTQKCDJOHKXXPR-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.72
Rot. Bonds4

About 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 136591756) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID136591756
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NC3CCCN(C)C3)c12
InChIInChI=1S/C21H25N5O2/c1-3-17-19-16(21(28)22-14-5-4-10-26(2)12-14)11-18(23-20(19)25-24-17)13-6-8-15(27)9-7-13/h6-9,11,14,27H,3-5,10,12H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKeyBTQKCDJOHKXXPR-UHFFFAOYSA-N
XLogP2.72
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(3-fluoro-4-hydroxyphenyl)-3-methyl-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591808
(3-aminoazetidin-1-yl)-[3-ethyl-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508070
2-chloro-6-(4-ethoxyphenyl)-3-fluoro-N-[(3S)-1-methylpiperidin-3-yl]pyridine-4-carboxamide
CID 178093607
N-(1-azabicyclo[2.2.2]octan-3-yl)-6-(4-hydroxyphenyl)-3-(trifluoromethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 137153841
5-hydroxy-N-(1-methylpiperidin-3-yl)-2-nitrobenzamide
CID 102741361
2-hydroxy-N-(1-methylpiperidin-3-yl)benzamide
CID 47344376
6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591871
N-(1-methylpiperidin-3-yl)-1H-indazole-6-carboxamide
CID 55133135
3-hydroxy-N-(1-methylpiperidin-3-yl)pyridine-4-carboxamide
CID 80706689
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(3-methyl-3,4,6,7,8,8a-hexahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 136507887
2-cyclopropyl-7-hydroxy-N-(1-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide
CID 46190864
2-(methylamino)-N-(1-methylpiperidin-3-yl)benzamide
CID 61376709

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 136591756) is 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is CCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NC3CCCN(C)C3)c12.
What is the InChIKey of 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is BTQKCDJOHKXXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-3-17-19-16(21(28)22-14-5-4-10-26(2)12-14)11-18(23-20(19)25-24-17)13-6-8-15(27)9-7-13/h6-9,11,14,27H,3-5,10,12H2,1-2H3,(H,22,28)(H,23,24,25).
What are the key properties of 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.72, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-6-(4-hydroxyphenyl)-N-(1-methylpiperidin-3-yl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 136591756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).