6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

C21H25N5O2 — CID 136591871

IUPAC6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NCC(C)N3CCCC3)c12
InChIInChI=1S/C21H25N5O2/c1-13(26-9-3-4-10-26)12-22-21(28)17-11-18(15-5-7-16(27)8-6-15)23-20-19(17)14(2)24-25-20/h5-8,11,13,27H,3-4,9-10,12H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKeyKIMNPAKBJSWAFW-UHFFFAOYSA-N
MW379.46 g/mol
LogP2.85
Rot. Bonds5

About 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide

6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 136591871) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID136591871
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NCC(C)N3CCCC3)c12
InChIInChI=1S/C21H25N5O2/c1-13(26-9-3-4-10-26)12-22-21(28)17-11-18(15-5-7-16(27)8-6-15)23-20-19(17)14(2)24-25-20/h5-8,11,13,27H,3-4,9-10,12H2,1-2H3,(H,22,28)(H,23,24,25)
InChIKeyKIMNPAKBJSWAFW-UHFFFAOYSA-N
XLogP2.85
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-(4-hydroxyphenyl)-3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591877
N-(cyclohexylmethyl)-6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 160596837
6-(4-hydroxyphenyl)-3-methyl-N-(1-phenyl-2-pyrrolidin-1-ylethyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide
CID 136591864
(2,2-dimethylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508078
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 136508146
3,5-dimethyl-N-(2-piperidin-1-ylpropyl)-1H-pyrazole-4-carboxamide
CID 54903954
[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
(3-butylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507977
[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
5-(4-methylphenyl)-N-(2-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 45133089
2,3-dihydroxy-N-(2-piperidin-1-ylpropyl)benzamide
CID 114344224

Frequently Asked Questions

What is the IUPAC name of 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide (CID 136591871) is 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1[nH]nc2nc(-c3ccc(O)cc3)cc(C(=O)NCC(C)N3CCCC3)c12.
What is the InChIKey of 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is KIMNPAKBJSWAFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-13(26-9-3-4-10-26)12-22-21(28)17-11-18(15-5-7-16(27)8-6-15)23-20-19(17)14(2)24-25-20/h5-8,11,13,27H,3-4,9-10,12H2,1-2H3,(H,22,28)(H,23,24,25).
What are the key properties of 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide?
6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 379.46 g/mol, XLogP of 2.85, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-hydroxyphenyl)-3-methyl-N-(2-pyrrolidin-1-ylpropyl)-2H-pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 136591871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).