1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone

C26H28N6O — CID 147887718

IUPAC1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
SMILESCN1CCN(Cc2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4nn3)c2)CC1
InChIInChI=1S/C26H28N6O/c1-30-8-10-32(11-9-30)17-19-4-3-5-21(12-19)26(33)15-24-14-22-13-20(6-7-25(22)29-28-24)23-16-27-31(2)18-23/h3-7,12-14,16,18H,8-11,15,17H2,1-2H3
InChIKeyIBQWEPOAMXHRTE-UHFFFAOYSA-N
MW440.55 g/mol
LogP3.20
Rot. Bonds6

About 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone

1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone (PubChem CID 147887718) has the molecular formula C26H28N6O and a molecular weight of 440.55 g/mol. Its IUPAC name is 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
PubChem CID147887718
Molecular FormulaC26H28N6O
Molecular Weight440.55 g/mol
Exact Mass440.23
IUPAC Name1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
SMILESCN1CCN(Cc2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4nn3)c2)CC1
InChIInChI=1S/C26H28N6O/c1-30-8-10-32(11-9-30)17-19-4-3-5-21(12-19)26(33)15-24-14-22-13-20(6-7-25(22)29-28-24)23-16-27-31(2)18-23/h3-7,12-14,16,18H,8-11,15,17H2,1-2H3
InChIKeyIBQWEPOAMXHRTE-UHFFFAOYSA-N
XLogP3.20
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.55
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone with MolForge

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Related Compounds

1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147043069
1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 159367015
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 161061645
1-(4-methyl-1,4-diazepan-1-yl)-3-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]propan-2-one
CID 158767293
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-pyrrolidin-1-ylpropan-2-one
CID 147925750
1-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]-2-[6-[1-(trideuteriomethyl)pyrazol-4-yl]cinnolin-3-yl]ethanone
CID 148875521
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-(2,2,5,5-tetradeuteriopyrrolidin-1-yl)propan-2-one
CID 158712365
1-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]-3-morpholin-4-ylpropan-2-one
CID 148508594
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone
CID 159421028
1-(4,4-difluorocyclohexyl)-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147553586
1-[4-fluoro-1-(2-methylpropyl)piperidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 149206774
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
CID 147183577

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
The IUPAC name of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone (CID 147887718) is 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone.
What is the SMILES notation for 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
The canonical SMILES for 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone is CN1CCN(Cc2cccc(C(=O)Cc3cc4cc(-c5cnn(C)c5)ccc4nn3)c2)CC1.
What is the InChIKey of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
The InChIKey is IBQWEPOAMXHRTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N6O/c1-30-8-10-32(11-9-30)17-19-4-3-5-21(12-19)26(33)15-24-14-22-13-20(6-7-25(22)29-28-24)23-16-27-31(2)18-23/h3-7,12-14,16,18H,8-11,15,17H2,1-2H3.
What are the key properties of 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone?
1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone has a molecular weight of 440.55 g/mol, XLogP of 3.20, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(4-methylpiperazin-1-yl)methyl]phenyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone is sourced from PubChem (CID 147887718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).