[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C23H23N7O — CID 46995479

IUPAC[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc2c(C(=O)N3CCN(c4cnccn4)CC3)cc(-c3cnn(C)c3)nc12
InChIInChI=1S/C23H23N7O/c1-16-4-3-5-18-19(12-20(27-22(16)18)17-13-26-28(2)15-17)23(31)30-10-8-29(9-11-30)21-14-24-6-7-25-21/h3-7,12-15H,8-11H2,1-2H3
InChIKeyAOMOFIATCDJVAT-UHFFFAOYSA-N
MW413.49 g/mol
LogP2.70
Rot. Bonds3

About [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 46995479) has the molecular formula C23H23N7O and a molecular weight of 413.49 g/mol. Its IUPAC name is [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID46995479
Molecular FormulaC23H23N7O
Molecular Weight413.49 g/mol
Exact Mass413.20
IUPAC Name[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1cccc2c(C(=O)N3CCN(c4cnccn4)CC3)cc(-c3cnn(C)c3)nc12
InChIInChI=1S/C23H23N7O/c1-16-4-3-5-18-19(12-20(27-22(16)18)17-13-26-28(2)15-17)23(31)30-10-8-29(9-11-30)21-14-24-6-7-25-21/h3-7,12-15H,8-11H2,1-2H3
InChIKeyAOMOFIATCDJVAT-UHFFFAOYSA-N
XLogP2.70
TPSA80.04 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.49
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone 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

[7,8-dimethyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-methylpiperazin-1-yl)methanone
CID 46985716
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
[4-(4,8-dimethylquinolin-2-yl)piperazin-1-yl]-pyrazin-2-ylmethanone
CID 108731282
N,8-dimethyl-N-(1-methylpiperidin-4-yl)-2-(1-methylpyrazol-4-yl)quinoline-4-carboxamide
CID 46999144
(2,6-dimethylquinolin-4-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18145987
[4-[(2-methylphenyl)methyl]piperazin-1-yl]-[2-(1-methylpyrazol-4-yl)quinolin-4-yl]methanone
CID 19518978
N,8-dimethyl-2-(1-methylpyrazol-4-yl)-N-[(3S)-1-methylpyrrolidin-3-yl]quinoline-4-carboxamide
CID 95045887
(2-methylsulfanyl-3-pyridinyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023433
[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 122559443
[1-(2-methylbenzoyl)piperidin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 18133999
(2,6-dimethylquinolin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024395
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194

Frequently Asked Questions

What is the IUPAC name of [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 46995479) is [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1cccc2c(C(=O)N3CCN(c4cnccn4)CC3)cc(-c3cnn(C)c3)nc12.
What is the InChIKey of [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is AOMOFIATCDJVAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N7O/c1-16-4-3-5-18-19(12-20(27-22(16)18)17-13-26-28(2)15-17)23(31)30-10-8-29(9-11-30)21-14-24-6-7-25-21/h3-7,12-15H,8-11H2,1-2H3.
What are the key properties of [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 413.49 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 46995479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).