3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one

C23H24F2N6O — CID 172991719

IUPAC3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one
SMILESCCC1=Cc2ncc(CN3CCN(c4cn5cc(C(F)F)nc5cn4)CC3)cc2CC1=O
InChIInChI=1S/C23H24F2N6O/c1-2-16-8-18-17(9-20(16)32)7-15(10-26-18)12-29-3-5-30(6-4-29)22-14-31-13-19(23(24)25)28-21(31)11-27-22/h7-8,10-11,13-14,23H,2-6,9,12H2,1H3
InChIKeyAFZLLXUFLZGRGB-UHFFFAOYSA-N
MW438.48 g/mol
LogP3.30
Rot. Bonds5

About 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one

3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one (PubChem CID 172991719) has the molecular formula C23H24F2N6O and a molecular weight of 438.48 g/mol. Its IUPAC name is 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one.

Molecular Properties

Compound Name3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one
PubChem CID172991719
Molecular FormulaC23H24F2N6O
Molecular Weight438.48 g/mol
Exact Mass438.20
IUPAC Name3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one
SMILESCCC1=Cc2ncc(CN3CCN(c4cn5cc(C(F)F)nc5cn4)CC3)cc2CC1=O
InChIInChI=1S/C23H24F2N6O/c1-2-16-8-18-17(9-20(16)32)7-15(10-26-18)12-29-3-5-30(6-4-29)22-14-31-13-19(23(24)25)28-21(31)11-27-22/h7-8,10-11,13-14,23H,2-6,9,12H2,1H3
InChIKeyAFZLLXUFLZGRGB-UHFFFAOYSA-N
XLogP3.30
TPSA66.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.48
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one?
The IUPAC name of 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one (CID 172991719) is 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one.
What is the SMILES notation for 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one?
The canonical SMILES for 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one is CCC1=Cc2ncc(CN3CCN(c4cn5cc(C(F)F)nc5cn4)CC3)cc2CC1=O.
What is the InChIKey of 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one?
The InChIKey is AFZLLXUFLZGRGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F2N6O/c1-2-16-8-18-17(9-20(16)32)7-15(10-26-18)12-29-3-5-30(6-4-29)22-14-31-13-19(23(24)25)28-21(31)11-27-22/h7-8,10-11,13-14,23H,2-6,9,12H2,1H3.
What are the key properties of 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one?
3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one has a molecular weight of 438.48 g/mol, XLogP of 3.30, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-[2-(difluoromethyl)imidazo[1,2-a]pyrazin-6-yl]piperazin-1-yl]methyl]-7-ethyl-5H-quinolin-6-one is sourced from PubChem (CID 172991719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).