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

C17H17F2N7O — CID 139357652

IUPAC1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1
InChIInChI=1S/C17H17F2N7O/c1-11(27)24-4-6-25(7-5-24)14-2-3-20-17(23-14)13-8-22-15-9-21-12(16(18)19)10-26(13)15/h2-3,8-10,16H,4-7H2,1H3
InChIKeyBGQGWBRHUKWBEB-UHFFFAOYSA-N
MW373.37 g/mol
LogP1.79
Rot. Bonds3

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

1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 139357652) has the molecular formula C17H17F2N7O and a molecular weight of 373.37 g/mol. Its IUPAC name is 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
PubChem CID139357652
Molecular FormulaC17H17F2N7O
Molecular Weight373.37 g/mol
Exact Mass373.15
IUPAC Name1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1
InChIInChI=1S/C17H17F2N7O/c1-11(27)24-4-6-25(7-5-24)14-2-3-20-17(23-14)13-8-22-15-9-21-12(16(18)19)10-26(13)15/h2-3,8-10,16H,4-7H2,1H3
InChIKeyBGQGWBRHUKWBEB-UHFFFAOYSA-N
XLogP1.79
TPSA79.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 51.79
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-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 139357652) is 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(c2ccnc(-c3cnc4cnc(C(F)F)cn34)n2)CC1.
What is the InChIKey of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
The InChIKey is BGQGWBRHUKWBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N7O/c1-11(27)24-4-6-25(7-5-24)14-2-3-20-17(23-14)13-8-22-15-9-21-12(16(18)19)10-26(13)15/h2-3,8-10,16H,4-7H2,1H3.
What are the key properties of 1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone?
1-[4-[2-[6-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 373.37 g/mol, XLogP of 1.79, 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-(difluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 139357652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).