1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one

C15H18F3N5O — CID 129006850

IUPAC1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCC2CCc3nc(C(F)(F)F)cn3C2)c1=O
InChIInChI=1S/C15H18F3N5O/c1-2-22-6-5-19-13(14(22)24)20-7-10-3-4-12-21-11(15(16,17)18)9-23(12)8-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyBMZLVXWWJXFEEF-UHFFFAOYSA-N
MW341.34 g/mol
LogP2.15
Rot. Bonds4

About 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one

1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one (PubChem CID 129006850) has the molecular formula C15H18F3N5O and a molecular weight of 341.34 g/mol. Its IUPAC name is 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one
PubChem CID129006850
Molecular FormulaC15H18F3N5O
Molecular Weight341.34 g/mol
Exact Mass341.15
IUPAC Name1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one
SMILESCCn1ccnc(NCC2CCc3nc(C(F)(F)F)cn3C2)c1=O
InChIInChI=1S/C15H18F3N5O/c1-2-22-6-5-19-13(14(22)24)20-7-10-3-4-12-21-11(15(16,17)18)9-23(12)8-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20)
InChIKeyBMZLVXWWJXFEEF-UHFFFAOYSA-N
XLogP2.15
TPSA64.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one with MolForge

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Related Compounds

1-ethyl-3-[[(6S)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one
CID 129474522
1-ethyl-3-[(1-ethylpyrrolidin-3-yl)methylamino]pyrazin-2-one
CID 62938803
4-(trifluoromethyl)-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyrimidin-2-amine
CID 129002408
5,6-dimethyl-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-4-carbonitrile
CID 129334996
5,6-dimethyl-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]pyridazin-3-amine
CID 129340505
1-ethyl-3-[(3-hydroxycyclohexyl)methylamino]pyrazin-2-one
CID 113349523
N-ethyl-6-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyridazine-3-carboxamide
CID 128998420
1-(2-pyrazol-1-ylethyl)-3-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339762
1-(2-pyrazol-1-ylethyl)-3-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]urea
CID 129339761
6-methyl-N-[[(6S)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]-3,4-dihydro-2H-pyran-5-carboxamide
CID 129339897
2,6-dimethyl-N-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]oxan-4-amine
CID 129003916
2-methoxy-N-[[(6R)-2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]ethanesulfonamide
CID 129335325

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one (CID 129006850) is 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one is CCn1ccnc(NCC2CCc3nc(C(F)(F)F)cn3C2)c1=O.
What is the InChIKey of 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one?
The InChIKey is BMZLVXWWJXFEEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N5O/c1-2-22-6-5-19-13(14(22)24)20-7-10-3-4-12-21-11(15(16,17)18)9-23(12)8-10/h5-6,9-10H,2-4,7-8H2,1H3,(H,19,20).
What are the key properties of 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one?
1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one has a molecular weight of 341.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methylamino]pyrazin-2-one is sourced from PubChem (CID 129006850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).