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

C19H24F3N3O2 — CID 71181057

IUPAC2-[(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
SMILESCc1c(C(F)(F)F)cc(=O)n2c1CN(C(=O)[C@@]1(C(C)C)C=C[C@@H](N)C1)CC2
InChIInChI=1S/C19H24F3N3O2/c1-11(2)18(5-4-13(23)9-18)17(27)24-6-7-25-15(10-24)12(3)14(8-16(25)26)19(20,21)22/h4-5,8,11,13H,6-7,9-10,23H2,1-3H3/t13-,18+/m1/s1
InChIKeyPRNANXLHZNGDAT-ACJLOTCBSA-N
MW383.41 g/mol
LogP2.45
Rot. Bonds2

About 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

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 (PubChem CID 71181057) has the molecular formula C19H24F3N3O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-[(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
PubChem CID71181057
Molecular FormulaC19H24F3N3O2
Molecular Weight383.41 g/mol
Exact Mass383.18
IUPAC Name2-[(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
SMILESCc1c(C(F)(F)F)cc(=O)n2c1CN(C(=O)[C@@]1(C(C)C)C=C[C@@H](N)C1)CC2
InChIInChI=1S/C19H24F3N3O2/c1-11(2)18(5-4-13(23)9-18)17(27)24-6-7-25-15(10-24)12(3)14(8-16(25)26)19(20,21)22/h4-5,8,11,13H,6-7,9-10,23H2,1-3H3/t13-,18+/m1/s1
InChIKeyPRNANXLHZNGDAT-ACJLOTCBSA-N
XLogP2.45
TPSA68.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1c(C(F)(F)F)cc(=O)n2c1CN(C(=O)[C@@]1(C(C)C)C=C[C@@H](N)C1)CC2.
What is the InChIKey of 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?
The InChIKey is PRNANXLHZNGDAT-ACJLOTCBSA-N. The full InChI is InChI=1S/C19H24F3N3O2/c1-11(2)18(5-4-13(23)9-18)17(27)24-6-7-25-15(10-24)12(3)14(8-16(25)26)19(20,21)22/h4-5,8,11,13H,6-7,9-10,23H2,1-3H3/t13-,18+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 383.41 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 71181057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).