[4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

C25H22N4OS — CID 162718253

IUPAC[4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H22N4OS/c30-25(21-12-7-17-31-21)29-15-13-28(14-16-29)22-18-26-23(19-8-3-1-4-9-19)24(27-22)20-10-5-2-6-11-20/h1-12,17-18H,13-16H2
InChIKeyXGDHFACDPGTGDB-UHFFFAOYSA-N
MW426.55 g/mol
LogP4.83
Rot. Bonds4

About [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone

[4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (PubChem CID 162718253) has the molecular formula C25H22N4OS and a molecular weight of 426.55 g/mol. Its IUPAC name is [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.

Molecular Properties

Compound Name[4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
PubChem CID162718253
Molecular FormulaC25H22N4OS
Molecular Weight426.55 g/mol
Exact Mass426.15
IUPAC Name[4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)N1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1
InChIInChI=1S/C25H22N4OS/c30-25(21-12-7-17-31-21)29-15-13-28(14-16-29)22-18-26-23(19-8-3-1-4-9-19)24(27-22)20-10-5-2-6-11-20/h1-12,17-18H,13-16H2
InChIKeyXGDHFACDPGTGDB-UHFFFAOYSA-N
XLogP4.83
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(4-quinolin-2-ylpiperazin-1-yl)-thiophen-2-ylmethanone
CID 108741624
[4-(6-piperidin-1-ylpyridazin-3-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 7292425
[4-(6,7-dimethyl-3-phenylquinoxalin-2-yl)-1,4-diazepan-1-yl]-thiophen-2-ylmethanone
CID 46093496
(4-aminopiperazin-1-yl)-thiophen-2-ylmethanone
CID 19791267
[4-(5-phenyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 3227252
[4-(2,3,5,6-tetrafluoro-4-pyridinyl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 133370657
1-[4-(thiophene-2-carbonyl)piperazin-1-yl]ethanone
CID 60635968
(E)-3-phenyl-N-[6-[4-(thiophene-2-carbonyl)piperazin-1-yl]-3-pyridinyl]prop-2-enamide
CID 46042022
[4-[6-(4-methylphenyl)pyridazin-3-yl]piperazin-1-yl]-thiophen-2-ylmethanone
CID 42110651
1-ethyl-3-[4-(thiophene-2-carbonyl)piperazin-1-yl]quinoxalin-2-one
CID 46393079
[4-(2-methyl-6-propan-2-yloxypyrimidin-4-yl)piperazin-1-yl]-thiophen-2-ylmethanone
CID 42473390
(4-methylpiperazin-1-yl)-thiophen-2-ylmethanone;propane
CID 142296627

Frequently Asked Questions

What is the IUPAC name of [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The IUPAC name of [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone (CID 162718253) is [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone.
What is the SMILES notation for [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The canonical SMILES for [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is O=C(c1cccs1)N1CCN(c2cnc(-c3ccccc3)c(-c3ccccc3)n2)CC1.
What is the InChIKey of [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
The InChIKey is XGDHFACDPGTGDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4OS/c30-25(21-12-7-17-31-21)29-15-13-28(14-16-29)22-18-26-23(19-8-3-1-4-9-19)24(27-22)20-10-5-2-6-11-20/h1-12,17-18H,13-16H2.
What are the key properties of [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone?
[4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone has a molecular weight of 426.55 g/mol, XLogP of 4.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5,6-diphenylpyrazin-2-yl)piperazin-1-yl]-thiophen-2-ylmethanone is sourced from PubChem (CID 162718253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).