1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone

C23H24N8O — CID 147183577

IUPAC1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4nn3)ccn2)CC1
InChIInChI=1S/C23H24N8O/c1-29-7-9-31(10-8-29)23-13-17(5-6-24-23)22(32)14-19-12-18-11-16(3-4-20(18)26-25-19)21-15-30(2)28-27-21/h3-6,11-13,15H,7-10,14H2,1-2H3
InChIKeyCAAWGSGJQWJFFO-UHFFFAOYSA-N
MW428.50 g/mol
LogP2.00
Rot. Bonds5

About 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone (PubChem CID 147183577) has the molecular formula C23H24N8O and a molecular weight of 428.50 g/mol. Its IUPAC name is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
PubChem CID147183577
Molecular FormulaC23H24N8O
Molecular Weight428.50 g/mol
Exact Mass428.21
IUPAC Name1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone
SMILESCN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4nn3)ccn2)CC1
InChIInChI=1S/C23H24N8O/c1-29-7-9-31(10-8-29)23-13-17(5-6-24-23)22(32)14-19-12-18-11-16(3-4-20(18)26-25-19)21-15-30(2)28-27-21/h3-6,11-13,15H,7-10,14H2,1-2H3
InChIKeyCAAWGSGJQWJFFO-UHFFFAOYSA-N
XLogP2.00
TPSA92.93 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.50
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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

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Related Compounds

1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-(6-pyridin-4-ylcinnolin-3-yl)ethanone
CID 159421028
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-(6-pyrrolidin-1-ylpyrazin-2-yl)cinnolin-3-yl]ethanone
CID 159180378
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
2-[6-[5-(dimethylamino)-3-pyridinyl]cinnolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone
CID 157303502
2-[6-(1-methyltriazol-4-yl)isoquinolin-3-yl]-1-(2-morpholin-4-yl-4-pyridinyl)ethanone
CID 153226798
1-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]-2-[6-(1-methylpyrazol-4-yl)cinnolin-3-yl]ethanone
CID 147043069
1-[2-(1-methylpiperidin-4-yl)sulfanyl-4-pyridinyl]-2-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]ethanone
CID 148801769
2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]-1-morpholin-4-ylethanone
CID 160671505
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-(4-methyl-1,4-diazepan-1-yl)-N-[3-(1-methyltriazol-4-yl)-1,7-naphthyridin-6-yl]pyridine-4-carboxamide
CID 138586731

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone?
The IUPAC name of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone (CID 147183577) is 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone.
What is the SMILES notation for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone?
The canonical SMILES for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5cn(C)nn5)ccc4nn3)ccn2)CC1.
What is the InChIKey of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone?
The InChIKey is CAAWGSGJQWJFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N8O/c1-29-7-9-31(10-8-29)23-13-17(5-6-24-23)22(32)14-19-12-18-11-16(3-4-20(18)26-25-19)21-15-30(2)28-27-21/h3-6,11-13,15H,7-10,14H2,1-2H3.
What are the key properties of 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone?
1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone has a molecular weight of 428.50 g/mol, XLogP of 2.00, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-[6-(1-methyltriazol-4-yl)cinnolin-3-yl]ethanone is sourced from PubChem (CID 147183577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).