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

C16H20F3N5O — CID 128992860

IUPAC1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one
SMILESCCn1ccnc(N(C)CC2CCc3nc(C(F)(F)F)cn3C2)c1=O
InChIInChI=1S/C16H20F3N5O/c1-3-23-7-6-20-14(15(23)25)22(2)8-11-4-5-13-21-12(16(17,18)19)10-24(13)9-11/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyAIUBXGCGILRGIK-UHFFFAOYSA-N
MW355.36 g/mol
LogP2.18
Rot. Bonds4

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

1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one (PubChem CID 128992860) has the molecular formula C16H20F3N5O and a molecular weight of 355.36 g/mol. Its IUPAC name is 1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one.

Molecular Properties

Compound Name1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one
PubChem CID128992860
Molecular FormulaC16H20F3N5O
Molecular Weight355.36 g/mol
Exact Mass355.16
IUPAC Name1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one
SMILESCCn1ccnc(N(C)CC2CCc3nc(C(F)(F)F)cn3C2)c1=O
InChIInChI=1S/C16H20F3N5O/c1-3-23-7-6-20-14(15(23)25)22(2)8-11-4-5-13-21-12(16(17,18)19)10-24(13)9-11/h6-7,10-11H,3-5,8-9H2,1-2H3
InChIKeyAIUBXGCGILRGIK-UHFFFAOYSA-N
XLogP2.18
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one?
The IUPAC name of 1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one (CID 128992860) is 1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one.
What is the SMILES notation for 1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one?
The canonical SMILES for 1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one is CCn1ccnc(N(C)CC2CCc3nc(C(F)(F)F)cn3C2)c1=O.
What is the InChIKey of 1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one?
The InChIKey is AIUBXGCGILRGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20F3N5O/c1-3-23-7-6-20-14(15(23)25)22(2)8-11-4-5-13-21-12(16(17,18)19)10-24(13)9-11/h6-7,10-11H,3-5,8-9H2,1-2H3.
What are the key properties of 1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one?
1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one has a molecular weight of 355.36 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[methyl-[[2-(trifluoromethyl)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]methyl]amino]pyrazin-2-one is sourced from PubChem (CID 128992860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).