[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone

C25H25N5O3 — CID 136507950

IUPAC[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C2CNCCN2C(=O)c2cc(-c3ccc(O)cc3)nc3n[nH]c(C)c23)cc1
InChIInChI=1S/C25H25N5O3/c1-15-23-20(13-21(27-24(23)29-28-15)16-3-7-18(31)8-4-16)25(32)30-12-11-26-14-22(30)17-5-9-19(33-2)10-6-17/h3-10,13,22,26,31H,11-12,14H2,1-2H3,(H,27,28,29)
InChIKeyOEJYXGKGFODFKX-UHFFFAOYSA-N
MW443.51 g/mol
LogP3.43
Rot. Bonds4

About [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone

[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone (PubChem CID 136507950) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
PubChem CID136507950
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
SMILESCOc1ccc(C2CNCCN2C(=O)c2cc(-c3ccc(O)cc3)nc3n[nH]c(C)c23)cc1
InChIInChI=1S/C25H25N5O3/c1-15-23-20(13-21(27-24(23)29-28-15)16-3-7-18(31)8-4-16)25(32)30-12-11-26-14-22(30)17-5-9-19(33-2)10-6-17/h3-10,13,22,26,31H,11-12,14H2,1-2H3,(H,27,28,29)
InChIKeyOEJYXGKGFODFKX-UHFFFAOYSA-N
XLogP3.43
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-(3-fluorophenyl)piperazin-1-yl]-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508063
[2-(3-fluorophenyl)piperazin-1-yl]-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507911
(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]-[(2R,5S)-5-methyl-2-phenylpiperazin-1-yl]methanone
CID 136508011
[6-(4-hydroxy-2-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 136507844
(2,2-dimethylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508078
[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-propan-2-ylpiperazin-1-yl)methanone
CID 136508066
[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(2S)-2-propan-2-ylpiperazin-1-yl]methanone
CID 136508065
(3,6-dimethyl-2H-pyrazolo[3,4-b]pyridin-4-yl)-[2-(3-fluorophenyl)piperazin-1-yl]methanone
CID 120737148
[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
(1,3-dimethylpyrazol-4-yl)-[(2S)-2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 124941836
[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

Frequently Asked Questions

What is the IUPAC name of [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The IUPAC name of [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone (CID 136507950) is [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The canonical SMILES for [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone is COc1ccc(C2CNCCN2C(=O)c2cc(-c3ccc(O)cc3)nc3n[nH]c(C)c23)cc1.
What is the InChIKey of [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone?
The InChIKey is OEJYXGKGFODFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-15-23-20(13-21(27-24(23)29-28-15)16-3-7-18(31)8-4-16)25(32)30-12-11-26-14-22(30)17-5-9-19(33-2)10-6-17/h3-10,13,22,26,31H,11-12,14H2,1-2H3,(H,27,28,29).
What are the key properties of [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone?
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone has a molecular weight of 443.51 g/mol, XLogP of 3.43, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone is sourced from PubChem (CID 136507950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).