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

C17H19F6N3O2 — CID 58916493

IUPAC2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESN[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1
InChIInChI=1S/C17H19F6N3O2/c18-16(19,20)9-15(2-1-11(24)7-15)14(28)25-3-4-26-12(8-25)5-10(6-13(26)27)17(21,22)23/h5-6,11H,1-4,7-9,24H2/t11-,15+/m1/s1
InChIKeyOXQNKTGZFPKYOF-ABAIWWIYSA-N
MW411.35 g/mol
LogP2.66
Rot. Bonds2

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

2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 58916493) has the molecular formula C17H19F6N3O2 and a molecular weight of 411.35 g/mol. Its IUPAC name is 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID58916493
Molecular FormulaC17H19F6N3O2
Molecular Weight411.35 g/mol
Exact Mass411.14
IUPAC Name2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESN[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1
InChIInChI=1S/C17H19F6N3O2/c18-16(19,20)9-15(2-1-11(24)7-15)14(28)25-3-4-26-12(8-25)5-10(6-13(26)27)17(21,22)23/h5-6,11H,1-4,7-9,24H2/t11-,15+/m1/s1
InChIKeyOXQNKTGZFPKYOF-ABAIWWIYSA-N
XLogP2.66
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.35
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one with MolForge

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Related Compounds

2-[(1S,3R)-3-(oxan-4-ylamino)-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 11752293
(1S,3R)-3-amino-N-[[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]methyl]-1-propan-2-ylcyclopentane-1-carboxamide
CID 57839018
2-[(1S,4S)-4-amino-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916485
tert-butyl N-[(1R,3S)-3-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine-2-carbonyl]-3-propan-2-ylcyclopentyl]carbamate
CID 58916496
2-[(1S)-1-ethyl-3-[[(3S,4S)-3-methyloxan-4-yl]amino]cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916498
tert-butyl N-[(1R,3S)-3-[6-oxo-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazine-2-carbonyl]-3-(2,2,2-trifluoroethyl)cyclopentyl]carbamate
CID 58916512
2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 58916522
2-[(1S,3R)-1-ethyl-3-[[(3S)-3-methyloxan-4-yl]amino]cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 71180340
2-[(1S,4S)-4-amino-1-propan-2-ylcyclopent-2-ene-1-carbonyl]-9-methyl-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 71181057
2-[(1S,3R)-3-(oxan-4-ylamino)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 143085664
2-[(1S,3R)-3-[[(3R)-1-ethoxypentan-3-yl]amino]cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one;propane
CID 143085699
2-[(1S,3R)-3-aminocyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
CID 143085723

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 58916493) is 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is N[C@@H]1CC[C@](CC(F)(F)F)(C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1.
What is the InChIKey of 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is OXQNKTGZFPKYOF-ABAIWWIYSA-N. The full InChI is InChI=1S/C17H19F6N3O2/c18-16(19,20)9-15(2-1-11(24)7-15)14(28)25-3-4-26-12(8-25)5-10(6-13(26)27)17(21,22)23/h5-6,11H,1-4,7-9,24H2/t11-,15+/m1/s1.
What are the key properties of 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 411.35 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,3R)-3-amino-1-(2,2,2-trifluoroethyl)cyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 58916493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).