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

C20H25N5O — CID 53184164

IUPAC1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one
SMILESCC1CN=C2C(N3CCN(C(=O)CCc4ccccc4)CC3)=NC=CN21
InChIInChI=1S/C20H25N5O/c1-16-15-22-20-19(21-9-10-25(16)20)24-13-11-23(12-14-24)18(26)8-7-17-5-3-2-4-6-17/h2-6,9-10,16H,7-8,11-15H2,1H3
InChIKeyHXYQMKHRHHXPST-UHFFFAOYSA-N
MW351.45 g/mol
LogP1.75
Rot. Bonds3

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

1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one (PubChem CID 53184164) 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]-3-phenylpropan-1-one.

Molecular Properties

Compound Name1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one
PubChem CID53184164
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]-3-phenylpropan-1-one
SMILESCC1CN=C2C(N3CCN(C(=O)CCc4ccccc4)CC3)=NC=CN21
InChIInChI=1S/C20H25N5O/c1-16-15-22-20-19(21-9-10-25(16)20)24-13-11-23(12-14-24)18(26)8-7-17-5-3-2-4-6-17/h2-6,9-10,16H,7-8,11-15H2,1H3
InChIKeyHXYQMKHRHHXPST-UHFFFAOYSA-N
XLogP1.75
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 51.75
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]-3-phenylpropan-1-one?
The IUPAC name of 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one (CID 53184164) is 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one.
What is the SMILES notation for 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The canonical SMILES for 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one is CC1CN=C2C(N3CCN(C(=O)CCc4ccccc4)CC3)=NC=CN21.
What is the InChIKey of 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one?
The InChIKey is HXYQMKHRHHXPST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O/c1-16-15-22-20-19(21-9-10-25(16)20)24-13-11-23(12-14-24)18(26)8-7-17-5-3-2-4-6-17/h2-6,9-10,16H,7-8,11-15H2,1H3.
What are the key properties of 1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one?
1-[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-3-phenylpropan-1-one has a molecular weight of 351.45 g/mol, XLogP of 1.75, 3 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]-3-phenylpropan-1-one is sourced from PubChem (CID 53184164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).