[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone

C24H24N6O — CID 2236889

IUPAC[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C24H24N6O/c1-17-16-18(2)30(27-17)23-22(25-20-10-6-7-11-21(20)26-23)28-12-14-29(15-13-28)24(31)19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3
InChIKeyQSKWBECPCFIYRL-UHFFFAOYSA-N
MW412.50 g/mol
LogP3.39
Rot. Bonds3

About [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone

[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone (PubChem CID 2236889) has the molecular formula C24H24N6O and a molecular weight of 412.50 g/mol. Its IUPAC name is [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone
PubChem CID2236889
Molecular FormulaC24H24N6O
Molecular Weight412.50 g/mol
Exact Mass412.20
IUPAC Name[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone
SMILESCc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccccc3)CC2)n1
InChIInChI=1S/C24H24N6O/c1-17-16-18(2)30(27-17)23-22(25-20-10-6-7-11-21(20)26-23)28-12-14-29(15-13-28)24(31)19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3
InChIKeyQSKWBECPCFIYRL-UHFFFAOYSA-N
XLogP3.39
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.50
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone?
The IUPAC name of [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone (CID 2236889) is [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone is Cc1cc(C)n(-c2nc3ccccc3nc2N2CCN(C(=O)c3ccccc3)CC2)n1.
What is the InChIKey of [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone?
The InChIKey is QSKWBECPCFIYRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N6O/c1-17-16-18(2)30(27-17)23-22(25-20-10-6-7-11-21(20)26-23)28-12-14-29(15-13-28)24(31)19-8-4-3-5-9-19/h3-11,16H,12-15H2,1-2H3.
What are the key properties of [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone?
[4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone has a molecular weight of 412.50 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(3,5-dimethylpyrazol-1-yl)quinoxalin-2-yl]piperazin-1-yl]-phenylmethanone is sourced from PubChem (CID 2236889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).