[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone

C20H23N5O2 — CID 136508165

IUPAC[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(O)ccc1-c1cc(C(=O)N2CCN[C@@H](C)C2)c2c(C)[nH]nc2n1
InChIInChI=1S/C20H23N5O2/c1-11-8-14(26)4-5-15(11)17-9-16(18-13(3)23-24-19(18)22-17)20(27)25-7-6-21-12(2)10-25/h4-5,8-9,12,21,26H,6-7,10H2,1-3H3,(H,22,23,24)/t12-/m0/s1
InChIKeyJGQPHTGCPAPTIF-LBPRGKRZSA-N
MW365.44 g/mol
LogP2.38
Rot. Bonds2

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

[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone (PubChem CID 136508165) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone.

Molecular Properties

Compound Name[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
PubChem CID136508165
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone
SMILESCc1cc(O)ccc1-c1cc(C(=O)N2CCN[C@@H](C)C2)c2c(C)[nH]nc2n1
InChIInChI=1S/C20H23N5O2/c1-11-8-14(26)4-5-15(11)17-9-16(18-13(3)23-24-19(18)22-17)20(27)25-7-6-21-12(2)10-25/h4-5,8-9,12,21,26H,6-7,10H2,1-3H3,(H,22,23,24)/t12-/m0/s1
InChIKeyJGQPHTGCPAPTIF-LBPRGKRZSA-N
XLogP2.38
TPSA94.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.38
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]-piperazin-1-ylmethanone
CID 136508124
[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[3-(2-methylpropyl)piperazin-1-yl]methanone
CID 136508146
(3-butylpiperazin-1-yl)-[6-(4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507977
[6-(4-hydroxy-2-methoxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(2-methylpiperazin-1-yl)methanone
CID 136507844
6-(2-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridine-4-carboxylic acid
CID 136507825
(2,4-dimethylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426420
[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-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-(1-oxa-4,9-diazaspiro[5.5]undecan-4-yl)methanone
CID 136508140
(2-hydroxy-4-methylphenyl)-[(3R)-3-methylpiperazin-1-yl]methanone
CID 81426616
(5-chloro-2-methylphenyl)-(3-methylpiperazin-1-yl)methanone
CID 82883730
[(3R)-3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136508186
[(3S)-3-(dimethylamino)pyrrolidin-1-yl]-[6-(3-fluoro-4-hydroxyphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]methanone
CID 136507861

Frequently Asked Questions

What is the IUPAC name of [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The IUPAC name of [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone (CID 136508165) is [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone.
What is the SMILES notation for [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The canonical SMILES for [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone is Cc1cc(O)ccc1-c1cc(C(=O)N2CCN[C@@H](C)C2)c2c(C)[nH]nc2n1.
What is the InChIKey of [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
The InChIKey is JGQPHTGCPAPTIF-LBPRGKRZSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-11-8-14(26)4-5-15(11)17-9-16(18-13(3)23-24-19(18)22-17)20(27)25-7-6-21-12(2)10-25/h4-5,8-9,12,21,26H,6-7,10H2,1-3H3,(H,22,23,24)/t12-/m0/s1.
What are the key properties of [6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone?
[6-(4-hydroxy-2-methylphenyl)-3-methyl-2H-pyrazolo[3,4-b]pyridin-4-yl]-[(3S)-3-methylpiperazin-1-yl]methanone has a molecular weight of 365.44 g/mol, XLogP of 2.38, 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]-[(3S)-3-methylpiperazin-1-yl]methanone is sourced from PubChem (CID 136508165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).