[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

C22H23N5O — CID 122559443

IUPAC[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCN(c4cnccn4)CC3)c2)nc1C
InChIInChI=1S/C22H23N5O/c1-16-6-7-20(25-17(16)2)18-4-3-5-19(14-18)22(28)27-12-10-26(11-13-27)21-15-23-8-9-24-21/h3-9,14-15H,10-13H2,1-2H3
InChIKeyFURIEQJSADAUBR-UHFFFAOYSA-N
MW373.46 g/mol
LogP3.12
Rot. Bonds3

About [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone

[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (PubChem CID 122559443) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
PubChem CID122559443
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
SMILESCc1ccc(-c2cccc(C(=O)N3CCN(c4cnccn4)CC3)c2)nc1C
InChIInChI=1S/C22H23N5O/c1-16-6-7-20(25-17(16)2)18-4-3-5-19(14-18)22(28)27-12-10-26(11-13-27)21-15-23-8-9-24-21/h3-9,14-15H,10-13H2,1-2H3
InChIKeyFURIEQJSADAUBR-UHFFFAOYSA-N
XLogP3.12
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(dimethylamino)-1H-1,2,4-triazol-5-yl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 118771968
(3,5-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023194
[4-(6-methylpyridazin-3-yl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 119066291
(2,3-dimethylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023215
(4-ethoxy-3-methylphenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 86938426
(2,6-dimethylquinolin-3-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024395
2-(2-methylphenyl)-5-(4-pyrazin-2-ylpiperazine-1-carbonyl)isoindole-1,3-dione
CID 42022159
(3-phenyl-1H-pyrazol-5-yl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42024085
[8-methyl-2-(1-methylpyrazol-4-yl)quinolin-4-yl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 46995479
1-[[3-(4-pyrazin-2-ylpiperazine-1-carbonyl)phenyl]methyl]-5,6,7,8-tetrahydroquinazoline-2,4-dione
CID 71555884
[4-[(R)-methylsulfinyl]phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 33113092
(4-amino-3-nitrophenyl)-(4-pyrazin-2-ylpiperazin-1-yl)methanone
CID 42023025

Frequently Asked Questions

What is the IUPAC name of [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The IUPAC name of [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone (CID 122559443) is [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone.
What is the SMILES notation for [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The canonical SMILES for [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is Cc1ccc(-c2cccc(C(=O)N3CCN(c4cnccn4)CC3)c2)nc1C.
What is the InChIKey of [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
The InChIKey is FURIEQJSADAUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-16-6-7-20(25-17(16)2)18-4-3-5-19(14-18)22(28)27-12-10-26(11-13-27)21-15-23-8-9-24-21/h3-9,14-15H,10-13H2,1-2H3.
What are the key properties of [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone?
[3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone has a molecular weight of 373.46 g/mol, XLogP of 3.12, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(5,6-dimethyl-2-pyridinyl)phenyl]-(4-pyrazin-2-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 122559443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).