1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone

C27H28Cl2N6O — CID 56836935

IUPAC1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
SMILESCC(C)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C27H28Cl2N6O/c1-18(2)19-6-8-20(9-7-19)25-27(35-11-10-30-16-23(35)32-25)31-17-24(36)33-12-14-34(15-13-33)26-21(28)4-3-5-22(26)29/h3-11,16,18,31H,12-15,17H2,1-2H3
InChIKeyIKPZRDDSNNIMMW-UHFFFAOYSA-N
MW523.47 g/mol
LogP5.59
Rot. Bonds6

About 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone

1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone (PubChem CID 56836935) has the molecular formula C27H28Cl2N6O and a molecular weight of 523.47 g/mol. Its IUPAC name is 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone.

Molecular Properties

Compound Name1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
PubChem CID56836935
Molecular FormulaC27H28Cl2N6O
Molecular Weight523.47 g/mol
Exact Mass522.17
IUPAC Name1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone
SMILESCC(C)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1
InChIInChI=1S/C27H28Cl2N6O/c1-18(2)19-6-8-20(9-7-19)25-27(35-11-10-30-16-23(35)32-25)31-17-24(36)33-12-14-34(15-13-33)26-21(28)4-3-5-22(26)29/h3-11,16,18,31H,12-15,17H2,1-2H3
InChIKeyIKPZRDDSNNIMMW-UHFFFAOYSA-N
XLogP5.59
TPSA65.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500523.47
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
The IUPAC name of 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone (CID 56836935) is 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone.
What is the SMILES notation for 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
The canonical SMILES for 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone is CC(C)c1ccc(-c2nc3cnccn3c2NCC(=O)N2CCN(c3c(Cl)cccc3Cl)CC2)cc1.
What is the InChIKey of 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
The InChIKey is IKPZRDDSNNIMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28Cl2N6O/c1-18(2)19-6-8-20(9-7-19)25-27(35-11-10-30-16-23(35)32-25)31-17-24(36)33-12-14-34(15-13-33)26-21(28)4-3-5-22(26)29/h3-11,16,18,31H,12-15,17H2,1-2H3.
What are the key properties of 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone?
1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone has a molecular weight of 523.47 g/mol, XLogP of 5.59, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,6-dichlorophenyl)piperazin-1-yl]-2-[[2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyrazin-3-yl]amino]ethanone is sourced from PubChem (CID 56836935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).