1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone

C25H24N6O — CID 159421028

IUPAC1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ccncc5)ccc4nn3)ccn2)CC1
InChIInChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)25-16-20(6-9-27-25)24(32)17-22-15-21-14-19(2-3-23(21)29-28-22)18-4-7-26-8-5-18/h2-9,14-16H,10-13,17H2,1H3
InChIKeyLPTOEGZTYGTZOW-UHFFFAOYSA-N
MW424.51 g/mol
LogP3.26
Rot. Bonds5

About 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone (PubChem CID 159421028) has the molecular formula C25H24N6O and a molecular weight of 424.51 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone
PubChem CID159421028
Molecular FormulaC25H24N6O
Molecular Weight424.51 g/mol
Exact Mass424.20
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ccncc5)ccc4nn3)ccn2)CC1
InChIInChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)25-16-20(6-9-27-25)24(32)17-22-15-21-14-19(2-3-23(21)29-28-22)18-4-7-26-8-5-18/h2-9,14-16H,10-13,17H2,1H3
InChIKeyLPTOEGZTYGTZOW-UHFFFAOYSA-N
XLogP3.26
TPSA75.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.51
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(6-pyrrolidin-1-ylpyrazin-2-yl)cinnolin-3-yl]ethanone
CID 159180378
2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 157303502
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
CID 147183577
1-[2-(4-methyl-1,4-diazepan-1-yl)-4-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 161061645
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1H-pyrrolo[3,2-b]pyridin-6-yl)cinnolin-3-yl]ethanone
CID 158755654
2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159029466
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147043069
2-[3-(5-methoxy-3-pyridinyl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 159031337
1-[5-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-1,7-naphthyridin-3-yl]-3-pyridinyl]propan-1-one
CID 159131291
2-[3-(5-amino-1,3,4-thiadiazol-2-yl)-1,7-naphthyridin-6-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 158242202
2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 149080045
2-[6-[6-(tert-butylamino)pyrazin-2-yl]cinnolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 160846566

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone (CID 159421028) is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ccncc5)ccc4nn3)ccn2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone?
The InChIKey is LPTOEGZTYGTZOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O/c1-30-10-12-31(13-11-30)25-16-20(6-9-27-25)24(32)17-22-15-21-14-19(2-3-23(21)29-28-22)18-4-7-26-8-5-18/h2-9,14-16H,10-13,17H2,1H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone?
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone has a molecular weight of 424.51 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone is sourced from PubChem (CID 159421028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).