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

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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).