1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone

C22H25Cl2N5O — CID 121309902

IUPAC1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C(C)C)cn23)CC1
InChIInChI=1S/C22H25Cl2N5O/c1-14(2)19-12-29-20(13-27-6-8-28(9-7-27)15(3)30)22(26-21(29)11-25-19)17-5-4-16(23)10-18(17)24/h4-5,10-12,14H,6-9,13H2,1-3H3
InChIKeyFJBQPIYGCVOXGG-UHFFFAOYSA-N
MW446.38 g/mol
LogP4.49
Rot. Bonds4

About 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone

1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone (PubChem CID 121309902) has the molecular formula C22H25Cl2N5O and a molecular weight of 446.38 g/mol. Its IUPAC name is 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone
PubChem CID121309902
Molecular FormulaC22H25Cl2N5O
Molecular Weight446.38 g/mol
Exact Mass445.14
IUPAC Name1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C(C)C)cn23)CC1
InChIInChI=1S/C22H25Cl2N5O/c1-14(2)19-12-29-20(13-27-6-8-28(9-7-27)15(3)30)22(26-21(29)11-25-19)17-5-4-16(23)10-18(17)24/h4-5,10-12,14H,6-9,13H2,1-3H3
InChIKeyFJBQPIYGCVOXGG-UHFFFAOYSA-N
XLogP4.49
TPSA53.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.38
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone (CID 121309902) is 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone is CC(=O)N1CCN(Cc2c(-c3ccc(Cl)cc3Cl)nc3cnc(C(C)C)cn23)CC1.
What is the InChIKey of 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone?
The InChIKey is FJBQPIYGCVOXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25Cl2N5O/c1-14(2)19-12-29-20(13-27-6-8-28(9-7-27)15(3)30)22(26-21(29)11-25-19)17-5-4-16(23)10-18(17)24/h4-5,10-12,14H,6-9,13H2,1-3H3.
What are the key properties of 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone?
1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone has a molecular weight of 446.38 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(2,4-dichlorophenyl)-6-propan-2-ylimidazo[1,2-a]pyrazin-3-yl]methyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 121309902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).