1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone

C20H25N5O — CID 53184169

IUPAC1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(C3=NC=CN4C3=NCC4C)CC2)c1
InChIInChI=1S/C20H25N5O/c1-15-4-3-5-17(12-15)13-18(26)23-8-10-24(11-9-23)19-20-22-14-16(2)25(20)7-6-21-19/h3-7,12,16H,8-11,13-14H2,1-2H3
InChIKeyQTHIAKLUDIDNEN-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.67
Rot. Bonds2

About 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone

1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (PubChem CID 53184169) has the molecular formula C20H25N5O and a molecular weight of 351.45 g/mol. Its IUPAC name is 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.

Molecular Properties

Compound Name1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
PubChem CID53184169
Molecular FormulaC20H25N5O
Molecular Weight351.45 g/mol
Exact Mass351.21
IUPAC Name1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone
SMILESCc1cccc(CC(=O)N2CCN(C3=NC=CN4C3=NCC4C)CC2)c1
InChIInChI=1S/C20H25N5O/c1-15-4-3-5-17(12-15)13-18(26)23-8-10-24(11-9-23)19-20-22-14-16(2)25(20)7-6-21-19/h3-7,12,16H,8-11,13-14H2,1-2H3
InChIKeyQTHIAKLUDIDNEN-UHFFFAOYSA-N
XLogP1.67
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The IUPAC name of 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone (CID 53184169) is 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone.
What is the SMILES notation for 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The canonical SMILES for 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is Cc1cccc(CC(=O)N2CCN(C3=NC=CN4C3=NCC4C)CC2)c1.
What is the InChIKey of 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
The InChIKey is QTHIAKLUDIDNEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-15-4-3-5-17(12-15)13-18(26)23-8-10-24(11-9-23)19-20-22-14-16(2)25(20)7-6-21-19/h3-7,12,16H,8-11,13-14H2,1-2H3.
What are the key properties of 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone?
1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone has a molecular weight of 351.45 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-2-(3-methylphenyl)ethanone is sourced from PubChem (CID 53184169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).