[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

C19H20F3N5O — CID 53184157

IUPAC[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC1CN=C2C(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)=NC=CN21
InChIInChI=1S/C19H20F3N5O/c1-13-12-24-17-16(23-6-7-27(13)17)25-8-10-26(11-9-25)18(28)14-4-2-3-5-15(14)19(20,21)22/h2-7,13H,8-12H2,1H3
InChIKeyBOADUKGQRXLIHH-UHFFFAOYSA-N
MW391.40 g/mol
LogP2.45
Rot. Bonds1

About [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone

[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (PubChem CID 53184157) has the molecular formula C19H20F3N5O and a molecular weight of 391.40 g/mol. Its IUPAC name is [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
PubChem CID53184157
Molecular FormulaC19H20F3N5O
Molecular Weight391.40 g/mol
Exact Mass391.16
IUPAC Name[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
SMILESCC1CN=C2C(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)=NC=CN21
InChIInChI=1S/C19H20F3N5O/c1-13-12-24-17-16(23-6-7-27(13)17)25-8-10-26(11-9-25)18(28)14-4-2-3-5-15(14)19(20,21)22/h2-7,13H,8-12H2,1H3
InChIKeyBOADUKGQRXLIHH-UHFFFAOYSA-N
XLogP2.45
TPSA51.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.40
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone (CID 53184157) is [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is CC1CN=C2C(N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)=NC=CN21.
What is the InChIKey of [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
The InChIKey is BOADUKGQRXLIHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O/c1-13-12-24-17-16(23-6-7-27(13)17)25-8-10-26(11-9-25)18(28)14-4-2-3-5-15(14)19(20,21)22/h2-7,13H,8-12H2,1H3.
What are the key properties of [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone?
[4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone has a molecular weight of 391.40 g/mol, XLogP of 2.45, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-2,3-dihydroimidazo[1,2-a]pyrazin-8-yl)piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 53184157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).