1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

C18H19F2N7O — CID 139357719

IUPAC1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(C)(F)F)cn34)n2)CC1
InChIInChI=1S/C18H19F2N7O/c1-12(28)25-5-7-26(8-6-25)15-3-4-21-17(24-15)13-9-23-16-10-22-14(11-27(13)16)18(2,19)20/h3-4,9-11H,5-8H2,1-2H3
InChIKeyOOXMAGFDMXWRIU-UHFFFAOYSA-N
MW387.39 g/mol
LogP1.97
Rot. Bonds3

About 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone

1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 139357719) has the molecular formula C18H19F2N7O and a molecular weight of 387.39 g/mol. Its IUPAC name is 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID139357719
Molecular FormulaC18H19F2N7O
Molecular Weight387.39 g/mol
Exact Mass387.16
IUPAC Name1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(C)(F)F)cn34)n2)CC1
InChIInChI=1S/C18H19F2N7O/c1-12(28)25-5-7-26(8-6-25)15-3-4-21-17(24-15)13-9-23-16-10-22-14(11-27(13)16)18(2,19)20/h3-4,9-11H,5-8H2,1-2H3
InChIKeyOOXMAGFDMXWRIU-UHFFFAOYSA-N
XLogP1.97
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.39
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 139357719) is 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(C)(F)F)cn34)n2)CC1.
What is the InChIKey of 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is OOXMAGFDMXWRIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N7O/c1-12(28)25-5-7-26(8-6-25)15-3-4-21-17(24-15)13-9-23-16-10-22-14(11-27(13)16)18(2,19)20/h3-4,9-11H,5-8H2,1-2H3.
What are the key properties of 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 387.39 g/mol, XLogP of 1.97, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-[6-(1,1-difluoroethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139357719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).