1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine

C26H28N6O — CID 88933067

IUPAC1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine
SMILES[H]/N=C(\C)c1c(-c2ccc(OC)cc2)nc2n[nH]c(C)c2c1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C26H28N6O/c1-16(27)22-24(18-4-8-20(9-5-18)32-14-12-28-13-15-32)23-17(2)30-31-26(23)29-25(22)19-6-10-21(33-3)11-7-19/h4-11,27-28H,12-15H2,1-3H3,(H,29,30,31)/b27-16+
InChIKeyXSCSODUAMBODLA-JVWAILMASA-N
MW440.55 g/mol
LogP4.41
Rot. Bonds5

About 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine

1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine (PubChem CID 88933067) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine.

Molecular Properties

Compound Name1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine
PubChem CID88933067
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine
SMILES[H]/N=C(\C)c1c(-c2ccc(OC)cc2)nc2n[nH]c(C)c2c1-c1ccc(N2CCNCC2)cc1
InChIInChI=1S/C26H28N6O/c1-16(27)22-24(18-4-8-20(9-5-18)32-14-12-28-13-15-32)23-17(2)30-31-26(23)29-25(22)19-6-10-21(33-3)11-7-19/h4-11,27-28H,12-15H2,1-3H3,(H,29,30,31)/b27-16+
InChIKeyXSCSODUAMBODLA-JVWAILMASA-N
XLogP4.41
TPSA89.92 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 54.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-(4-hydroxy-2-methylphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162305633
6-(2,3-difluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 160622241
6-(4-amino-2-fluorophenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 162305514
1-(4-methoxyphenyl)piperazine;1-piperazin-1-ylethanone
CID 173297247
2-(4-methoxyphenyl)-6-methyl-5-(N-methyl-C-thiophen-2-ylcarbonimidoyl)-4-(4-piperazin-1-ylphenyl)pyridine-3-carbonitrile
CID 118137073
butanedioic acid;1-(4-methoxyphenyl)piperazine
CID 18545024
2-methyl-4-(4-piperazin-1-ylphenyl)-1,3-thiazole
CID 58985190
4-(1,4-diazepan-1-yl)-5-(4-methoxyphenyl)-6-methylthieno[2,3-d]pyrimidine
CID 28848315
11-(4-methoxyphenyl)-16-methyl-8-oxa-12,14,15-triazatetracyclo[8.7.0.02,7.013,17]heptadeca-1(10),2,4,6,11,13,16-heptaen-9-one
CID 66562936
1-[4-(5-methyl-1H-imidazol-2-yl)phenyl]-1,4-diazepane
CID 82482734
11-(4-methoxyphenyl)-3-methyl-4,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,5,7-tetraene-10,12-dione
CID 66506443
3-(furan-2-yl)-4-(4-piperazin-1-ylphenyl)-6-(1,3-thiazol-5-yl)-2H-pyrazolo[3,4-b]pyridine-5-carbonitrile;hydrochloride
CID 161334615

Frequently Asked Questions

What is the IUPAC name of 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine?
The IUPAC name of 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine (CID 88933067) is 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine.
What is the SMILES notation for 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine?
The canonical SMILES for 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine is [H]/N=C(\C)c1c(-c2ccc(OC)cc2)nc2n[nH]c(C)c2c1-c1ccc(N2CCNCC2)cc1.
What is the InChIKey of 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine?
The InChIKey is XSCSODUAMBODLA-JVWAILMASA-N. The full InChI is InChI=1S/C26H28N6O/c1-16(27)22-24(18-4-8-20(9-5-18)32-14-12-28-13-15-32)23-17(2)30-31-26(23)29-25(22)19-6-10-21(33-3)11-7-19/h4-11,27-28H,12-15H2,1-3H3,(H,29,30,31)/b27-16+.
What are the key properties of 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine?
1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine has a molecular weight of 440.55 g/mol, XLogP of 4.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(4-methoxyphenyl)-3-methyl-4-(4-piperazin-1-ylphenyl)-2H-pyrazolo[3,4-b]pyridin-5-yl]ethanimine is sourced from PubChem (CID 88933067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).