2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one

C15H18F3N3O2 — CID 143085723

IUPAC2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESN[C@@H]1CC[C@H](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)10-6-12-8-20(3-4-21(12)13(22)7-10)14(23)9-1-2-11(19)5-9/h6-7,9,11H,1-5,8,19H2/t9-,11+/m0/s1
InChIKeyLJQVGRAHDIYRCB-GXSJLCMTSA-N
MW329.32 g/mol
LogP1.34
Rot. Bonds1

About 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one

2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 143085723) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID143085723
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESN[C@@H]1CC[C@H](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1
InChIInChI=1S/C15H18F3N3O2/c16-15(17,18)10-6-12-8-20(3-4-21(12)13(22)7-10)14(23)9-1-2-11(19)5-9/h6-7,9,11H,1-5,8,19H2/t9-,11+/m0/s1
InChIKeyLJQVGRAHDIYRCB-GXSJLCMTSA-N
XLogP1.34
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 143085723) is 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is N[C@@H]1CC[C@H](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1.
What is the InChIKey of 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is LJQVGRAHDIYRCB-GXSJLCMTSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c16-15(17,18)10-6-12-8-20(3-4-21(12)13(22)7-10)14(23)9-1-2-11(19)5-9/h6-7,9,11H,1-5,8,19H2/t9-,11+/m0/s1.
What are the key properties of 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 329.32 g/mol, XLogP of 1.34, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 143085723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).