3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

C17H21F3N4O — CID 163351786

IUPAC3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CC3CN(c4ccccn4)CC3C2)CCN1CC(F)(F)F
InChIInChI=1S/C17H21F3N4O/c18-17(19,20)11-22-6-4-14(16(22)25)23-7-12-9-24(10-13(12)8-23)15-3-1-2-5-21-15/h1-3,5,12-14H,4,6-11H2
InChIKeyDBMSUCNMDOFJNV-UHFFFAOYSA-N
MW354.38 g/mol
LogP1.61
Rot. Bonds3

About 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one

3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (PubChem CID 163351786) has the molecular formula C17H21F3N4O and a molecular weight of 354.38 g/mol. Its IUPAC name is 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
PubChem CID163351786
Molecular FormulaC17H21F3N4O
Molecular Weight354.38 g/mol
Exact Mass354.17
IUPAC Name3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
SMILESO=C1C(N2CC3CN(c4ccccn4)CC3C2)CCN1CC(F)(F)F
InChIInChI=1S/C17H21F3N4O/c18-17(19,20)11-22-6-4-14(16(22)25)23-7-12-9-24(10-13(12)8-23)15-3-1-2-5-21-15/h1-3,5,12-14H,4,6-11H2
InChIKeyDBMSUCNMDOFJNV-UHFFFAOYSA-N
XLogP1.61
TPSA39.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.38
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one with MolForge

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Related Compounds

3-[5-(5-chloro-2-pyridinyl)-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 163354486
2-cyclopropyl-5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrole
CID 121185571
4-[(3S)-2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-3-pyrimidin-2-yl-1,2,4-oxadiazol-5-one
CID 97084940
(3S)-3-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 100848210
6-methyl-2-[[1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]azetidin-3-yl]methyl]pyridazin-3-one
CID 126927120
3-(2-methylthiomorpholin-4-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56787375
3-[4-[6-(azetidin-1-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]piperidin-1-yl]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 126912726
3-pyridin-2-yl-3-azabicyclo[4.1.0]heptane
CID 169176717
(3S)-3-[4-(2-methylpyridine-3-carbonyl)piperazin-1-yl]-1-(2,2,2-trifluoroethyl)piperidin-2-one
CID 97342812
1-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-4-thiophen-2-yltetrazol-5-one
CID 84584234
3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-1H-quinazoline-2,4-dione
CID 71931642
3-[2-oxo-1-(2,2,2-trifluoroethyl)pyrrolidin-3-yl]-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 136524706

Frequently Asked Questions

What is the IUPAC name of 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The IUPAC name of 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one (CID 163351786) is 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one.
What is the SMILES notation for 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The canonical SMILES for 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is O=C1C(N2CC3CN(c4ccccn4)CC3C2)CCN1CC(F)(F)F.
What is the InChIKey of 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
The InChIKey is DBMSUCNMDOFJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N4O/c18-17(19,20)11-22-6-4-14(16(22)25)23-7-12-9-24(10-13(12)8-23)15-3-1-2-5-21-15/h1-3,5,12-14H,4,6-11H2.
What are the key properties of 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one?
3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one has a molecular weight of 354.38 g/mol, XLogP of 1.61, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-pyridin-2-yl-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-2-yl)-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one is sourced from PubChem (CID 163351786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).