[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone

C19H21N5O2 — CID 136508124

IUPAC[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
SMILESCc1cc(O)ccc1-c1cc(C(=O)N2CCNCC2)c2c(C)[nH]nc2n1
InChIInChI=1S/C19H21N5O2/c1-11-9-13(25)3-4-14(11)16-10-15(17-12(2)22-23-18(17)21-16)19(26)24-7-5-20-6-8-24/h3-4,9-10,20,25H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyQEVSRFVBNWAIJE-UHFFFAOYSA-N
MW351.41 g/mol
LogP1.99
Rot. Bonds2

About [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone

[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone (PubChem CID 136508124) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone.

Molecular Properties

Compound Name[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
PubChem CID136508124
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
SMILESCc1cc(O)ccc1-c1cc(C(=O)N2CCNCC2)c2c(C)[nH]nc2n1
InChIInChI=1S/C19H21N5O2/c1-11-9-13(25)3-4-14(11)16-10-15(17-12(2)22-23-18(17)21-16)19(26)24-7-5-20-6-8-24/h3-4,9-10,20,25H,5-8H2,1-2H3,(H,21,22,23)
InChIKeyQEVSRFVBNWAIJE-UHFFFAOYSA-N
XLogP1.99
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
CID 136508165
[6-(4-hydroxy-2-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 136507844
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 136508140
[(1R,5S)-3,8-diazabicyclo[3.2.1]octan-8-yl]-[6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136591872
(2,2-dimethylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508078
6-(4-hydroxy-2-methylphenyl)-3-methyl-4-[(2S)-2-(piperazine-1-carbonyl)cyclopropyl]-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile
CID 136927821
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 136508146
2,8-diazaspiro[4.5]decan-2-yl-[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507872
(3-butylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507977
[3-[2-(4-fluorophenyl)ethenyl]-6-(4-hydroxyphenyl)-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
CID 137092113
[6-(4-hydroxyphenyl)-3-[2-(3-methylsulfonylphenyl)ethenyl]-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone
CID 137031822
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[2-(4-methoxyphenyl)piperazin-1-yl]methanone
CID 136507950

Frequently Asked Questions

What is the IUPAC name of [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone?
The IUPAC name of [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone (CID 136508124) is [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone.
What is the SMILES notation for [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone?
The canonical SMILES for [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone is Cc1cc(O)ccc1-c1cc(C(=O)N2CCNCC2)c2c(C)[nH]nc2n1.
What is the InChIKey of [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone?
The InChIKey is QEVSRFVBNWAIJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-11-9-13(25)3-4-14(11)16-10-15(17-12(2)22-23-18(17)21-16)19(26)24-7-5-20-6-8-24/h3-4,9-10,20,25H,5-8H2,1-2H3,(H,21,22,23).
What are the key properties of [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone?
[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone has a molecular weight of 351.41 g/mol, XLogP of 1.99, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-piperazin-1-ylmethanone is sourced from PubChem (CID 136508124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).