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

C18H24F3N3O2 — CID 58916522

IUPAC2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCC(C)[C@]1(C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)CC[C@@H](N)C1
InChIInChI=1S/C18H24F3N3O2/c1-11(2)17(4-3-13(22)9-17)16(26)23-5-6-24-14(10-23)7-12(8-15(24)25)18(19,20)21/h7-8,11,13H,3-6,9-10,22H2,1-2H3/t13-,17+/m1/s1
InChIKeySXPXZUDYFIMFOK-DYVFJYSZSA-N
MW371.40 g/mol
LogP2.36
Rot. Bonds2

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

2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (PubChem CID 58916522) has the molecular formula C18H24F3N3O2 and a molecular weight of 371.40 g/mol. Its IUPAC name is 2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one.

Molecular Properties

Compound Name2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
PubChem CID58916522
Molecular FormulaC18H24F3N3O2
Molecular Weight371.40 g/mol
Exact Mass371.18
IUPAC Name2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one
SMILESCC(C)[C@]1(C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)CC[C@@H](N)C1
InChIInChI=1S/C18H24F3N3O2/c1-11(2)17(4-3-13(22)9-17)16(26)23-5-6-24-14(10-23)7-12(8-15(24)25)18(19,20)21/h7-8,11,13H,3-6,9-10,22H2,1-2H3/t13-,17+/m1/s1
InChIKeySXPXZUDYFIMFOK-DYVFJYSZSA-N
XLogP2.36
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-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-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The IUPAC name of 2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one (CID 58916522) is 2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-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-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The canonical SMILES for 2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is CC(C)[C@]1(C(=O)N2CCn3c(cc(C(F)(F)F)cc3=O)C2)CC[C@@H](N)C1.
What is the InChIKey of 2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
The InChIKey is SXPXZUDYFIMFOK-DYVFJYSZSA-N. The full InChI is InChI=1S/C18H24F3N3O2/c1-11(2)17(4-3-13(22)9-17)16(26)23-5-6-24-14(10-23)7-12(8-15(24)25)18(19,20)21/h7-8,11,13H,3-6,9-10,22H2,1-2H3/t13-,17+/m1/s1.
What are the key properties of 2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one?
2-[(1S,3R)-3-amino-1-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one has a molecular weight of 371.40 g/mol, XLogP of 2.36, 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-propan-2-ylcyclopentanecarbonyl]-8-(trifluoromethyl)-3,4-dihydro-1H-pyrido[1,2-a]pyrazin-6-one is sourced from PubChem (CID 58916522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).