1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one

C16H19F7N6O2 — CID 73152040

IUPAC1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one
SMILESNC(CC(=O)N1CCn2c(nnc2C(F)(F)C(F)(F)F)C1)CN1CC(F)(F)CCC1=O
InChIInChI=1S/C16H19F7N6O2/c17-14(18)2-1-11(30)28(8-14)6-9(24)5-12(31)27-3-4-29-10(7-27)25-26-13(29)15(19,20)16(21,22)23/h9H,1-8,24H2
InChIKeyIGENXLFHZMEIHQ-UHFFFAOYSA-N
MW460.35 g/mol
LogP1.25
Rot. Bonds5

About 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one

1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one (PubChem CID 73152040) has the molecular formula C16H19F7N6O2 and a molecular weight of 460.35 g/mol. Its IUPAC name is 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one.

Molecular Properties

Compound Name1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one
PubChem CID73152040
Molecular FormulaC16H19F7N6O2
Molecular Weight460.35 g/mol
Exact Mass460.15
IUPAC Name1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one
SMILESNC(CC(=O)N1CCn2c(nnc2C(F)(F)C(F)(F)F)C1)CN1CC(F)(F)CCC1=O
InChIInChI=1S/C16H19F7N6O2/c17-14(18)2-1-11(30)28(8-14)6-9(24)5-12(31)27-3-4-29-10(7-27)25-26-13(29)15(19,20)16(21,22)23/h9H,1-8,24H2
InChIKeyIGENXLFHZMEIHQ-UHFFFAOYSA-N
XLogP1.25
TPSA97.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.35
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one with MolForge

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

Launch Full Analysis

Related Compounds

1-[(2S)-2-amino-4-oxo-4-[4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5,5-difluoropiperidin-2-one
CID 59774447
3-amino-5,5,5-trifluoro-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pentan-1-one
CID 87733800
1-[(2R)-2-amino-4-[2-tert-butyl-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
CID 66969213
1-[(2S)-2-amino-4-[2-(4-fluorophenyl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
CID 59774457
1-[(2S)-2-amino-4-oxo-4-[2-(1H-pyrrol-2-yl)-4-(trifluoromethyl)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]butyl]-5,5-difluoropiperidin-2-one
CID 11953056
1-[[1-[2-oxo-2-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]ethyl]cyclopropyl]methyl]pyrrolidin-2-one
CID 143301896
tert-butyl N-[4-oxo-1-(2-oxopiperidin-1-yl)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-2-yl]carbamate
CID 66969771
3-amino-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]-4-(2,4,5-trifluorophenyl)butan-1-one;formaldehyde
CID 143429048
1-[(2R)-2-amino-4-[(2S)-2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-4-oxobutyl]-5,5-difluoropiperidin-2-one
CID 69189689
(3R)-3-amino-4-(3,4-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one;hydrochloride
CID 11487118
3-amino-4-(2,5-difluorophenyl)-1-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butan-1-one
CID 20628250
3-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butanoic acid
CID 64896950

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one?
The IUPAC name of 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one (CID 73152040) is 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one.
What is the SMILES notation for 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one?
The canonical SMILES for 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one is NC(CC(=O)N1CCn2c(nnc2C(F)(F)C(F)(F)F)C1)CN1CC(F)(F)CCC1=O.
What is the InChIKey of 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one?
The InChIKey is IGENXLFHZMEIHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F7N6O2/c17-14(18)2-1-11(30)28(8-14)6-9(24)5-12(31)27-3-4-29-10(7-27)25-26-13(29)15(19,20)16(21,22)23/h9H,1-8,24H2.
What are the key properties of 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one?
1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one has a molecular weight of 460.35 g/mol, XLogP of 1.25, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-4-oxo-4-[3-(1,1,2,2,2-pentafluoroethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one is sourced from PubChem (CID 73152040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).