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

C16H18F3N3O2 — CID 143085788

IUPAC2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCN[C@@H]1C=C[C@H](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1
InChIInChI=1S/C16H18F3N3O2/c1-20-12-3-2-10(6-12)15(24)21-4-5-22-13(9-21)7-11(8-14(22)23)16(17,18)19/h2-3,7-8,10,12,20H,4-6,9H2,1H3/t10-,12+/m0/s1
InChIKeyFPZKDQFKJOFOOB-CMPLNLGQSA-N
MW341.33 g/mol
LogP1.37
Rot. Bonds2

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

2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 143085788) has the molecular formula C16H18F3N3O2 and a molecular weight of 341.33 g/mol. Its IUPAC name is 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID143085788
Molecular FormulaC16H18F3N3O2
Molecular Weight341.33 g/mol
Exact Mass341.14
IUPAC Name2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCN[C@@H]1C=C[C@H](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1
InChIInChI=1S/C16H18F3N3O2/c1-20-12-3-2-10(6-12)15(24)21-4-5-22-13(9-21)7-11(8-14(22)23)16(17,18)19/h2-3,7-8,10,12,20H,4-6,9H2,1H3/t10-,12+/m0/s1
InChIKeyFPZKDQFKJOFOOB-CMPLNLGQSA-N
XLogP1.37
TPSA54.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 143085788) is 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.
What is the SMILES notation for 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is CN[C@@H]1C=C[C@H](C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)C1.
What is the InChIKey of 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is FPZKDQFKJOFOOB-CMPLNLGQSA-N. The full InChI is InChI=1S/C16H18F3N3O2/c1-20-12-3-2-10(6-12)15(24)21-4-5-22-13(9-21)7-11(8-14(22)23)16(17,18)19/h2-3,7-8,10,12,20H,4-6,9H2,1H3/t10-,12+/m0/s1.
What are the key properties of 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 341.33 g/mol, XLogP of 1.37, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1R,4S)-4-(methylamino)cyclopent-2-ene-1-carbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 143085788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).