[2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone

C20H23N5O — CID 120741513

IUPAC[2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2cnc3n[nH]c(C)c3c2)cc1
InChIInChI=1S/C20H23N5O/c1-3-14-4-6-15(7-5-14)18-12-21-8-9-25(18)20(26)16-10-17-13(2)23-24-19(17)22-11-16/h4-7,10-11,18,21H,3,8-9,12H2,1-2H3,(H,22,23,24)
InChIKeyRUTFPAMJDSEWDN-UHFFFAOYSA-N
MW349.44 g/mol
LogP2.62
Rot. Bonds3

About [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone

[2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone (PubChem CID 120741513) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone.

Molecular Properties

Compound Name[2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
PubChem CID120741513
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name[2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone
SMILESCCc1ccc(C2CNCCN2C(=O)c2cnc3n[nH]c(C)c3c2)cc1
InChIInChI=1S/C20H23N5O/c1-3-14-4-6-15(7-5-14)18-12-21-8-9-25(18)20(26)16-10-17-13(2)23-24-19(17)22-11-16/h4-7,10-11,18,21H,3,8-9,12H2,1-2H3,(H,22,23,24)
InChIKeyRUTFPAMJDSEWDN-UHFFFAOYSA-N
XLogP2.62
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(4-ethylphenyl)piperazin-1-yl]-(1-methylpyrazol-4-yl)methanone;hydrochloride
CID 120741506
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2R)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 130423720
(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-[(2S)-2-pyridin-4-ylpyrrolidin-1-yl]methanone
CID 130423555
5-[2-(4-ethylphenyl)piperazine-1-carbonyl]-N-methylpyridine-2-carboxamide;hydrochloride
CID 120741592
[2-(4-ethylphenyl)piperazin-1-yl]-(1-ethylpyrazol-4-yl)methanone
CID 120740889
4-[2-(4-ethylphenyl)piperazine-1-carbonyl]benzamide;hydrochloride
CID 120740508
1-[2-(4-ethylphenyl)piperazin-1-yl]-2-(5-methyl-1H-pyrazol-3-yl)ethanone;hydrochloride
CID 120740892
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone
CID 120740519
[2-(4-ethylphenyl)piperazin-1-yl]-(1H-indazol-3-yl)methanone;hydrochloride
CID 120741702
[2-(4-ethylphenyl)piperazin-1-yl]-thiophen-3-ylmethanone;hydrochloride
CID 120740518
1-[2-(4-ethylphenyl)piperazin-1-yl]butan-1-one
CID 120740551
[2-(4-ethylphenyl)piperazin-1-yl]-(2-methyl-5-nitro-3-pyridinyl)methanone
CID 120740755

Frequently Asked Questions

What is the IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
The IUPAC name of [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone (CID 120741513) is [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone.
What is the SMILES notation for [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
The canonical SMILES for [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone is CCc1ccc(C2CNCCN2C(=O)c2cnc3n[nH]c(C)c3c2)cc1.
What is the InChIKey of [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
The InChIKey is RUTFPAMJDSEWDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O/c1-3-14-4-6-15(7-5-14)18-12-21-8-9-25(18)20(26)16-10-17-13(2)23-24-19(17)22-11-16/h4-7,10-11,18,21H,3,8-9,12H2,1-2H3,(H,22,23,24).
What are the key properties of [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone?
[2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone has a molecular weight of 349.44 g/mol, XLogP of 2.62, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-ethylphenyl)piperazin-1-yl]-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)methanone is sourced from PubChem (CID 120741513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).