(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone

C15H19F5N6O — CID 11668347

IUPAC(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](N2CCn3c(nnc3C(F)(F)F)C2)CN1)N1CCC(F)(F)C1
InChIInChI=1S/C15H19F5N6O/c16-14(17)1-2-25(8-14)12(27)10-5-9(6-21-10)24-3-4-26-11(7-24)22-23-13(26)15(18,19)20/h9-10,21H,1-8H2/t9-,10-/m0/s1
InChIKeyQFPFLPBDSOBQKS-UWVGGRQHSA-N
MW394.35 g/mol
LogP0.71
Rot. Bonds2

About (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone

(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone (PubChem CID 11668347) has the molecular formula C15H19F5N6O and a molecular weight of 394.35 g/mol. Its IUPAC name is (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone
PubChem CID11668347
Molecular FormulaC15H19F5N6O
Molecular Weight394.35 g/mol
Exact Mass394.15
IUPAC Name(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone
SMILESO=C([C@@H]1C[C@H](N2CCn3c(nnc3C(F)(F)F)C2)CN1)N1CCC(F)(F)C1
InChIInChI=1S/C15H19F5N6O/c16-14(17)1-2-25(8-14)12(27)10-5-9(6-21-10)24-3-4-26-11(7-24)22-23-13(26)15(18,19)20/h9-10,21H,1-8H2/t9-,10-/m0/s1
InChIKeyQFPFLPBDSOBQKS-UWVGGRQHSA-N
XLogP0.71
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.35
LogP ≤ 50.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone with MolForge

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Related Compounds

(S)-1-(2-amino-4-oxo-4-(3-(trifluoromethyl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)butyl)piperidin-2-one
CID 11952574
US10894794, Comp. Code No. GLP-140
CID 96445883
(2S)-1-({(2S,4S)-5-Oxo-4-[2-oxo-2-[3-(trifluoromethyl)-5,6-dihydro[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl]ethyl]pyrrolidin-2-yl}carbonyl)pyrrolidine-2-carbonitrile
CID 46916386
3-(5,6,7,8-Tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethylamino)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 72123146
3-[(2-Ethyl-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-8-yl)amino]-1-propan-2-ylpyrrolidin-2-one
CID 71921568
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-fluoropyrrolidin-2-one
CID 11952576
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]pyrrolidin-2-one
CID 11952577
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-fluoropiperidin-2-one
CID 11952624
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-5,5-difluoropiperidin-2-one
CID 11952628
1-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-4-(trifluoromethyl)pyrrolidin-2-one
CID 11952630
1-[(2S)-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 11953154
3-[(2S)-2-amino-4-oxo-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]butyl]-3-azabicyclo[3.1.0]hexan-2-one
CID 66969858

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone?
The IUPAC name of (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone (CID 11668347) is (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone.
What is the SMILES notation for (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone?
The canonical SMILES for (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone is O=C([C@@H]1C[C@H](N2CCn3c(nnc3C(F)(F)F)C2)CN1)N1CCC(F)(F)C1.
What is the InChIKey of (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone?
The InChIKey is QFPFLPBDSOBQKS-UWVGGRQHSA-N. The full InChI is InChI=1S/C15H19F5N6O/c16-14(17)1-2-25(8-14)12(27)10-5-9(6-21-10)24-3-4-26-11(7-24)22-23-13(26)15(18,19)20/h9-10,21H,1-8H2/t9-,10-/m0/s1.
What are the key properties of (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone?
(3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone has a molecular weight of 394.35 g/mol, XLogP of 0.71, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoropyrrolidin-1-yl)-[(2S,4S)-4-[3-(trifluoromethyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]pyrrolidin-2-yl]methanone is sourced from PubChem (CID 11668347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).