1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone

C17H15F3N6O2S — CID 164872324

IUPAC1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone
SMILESO=C(C(O)c1ncccc1F)N1Cc2cn(Sc3ccn(CC(F)F)n3)nc2C1
InChIInChI=1S/C17H15F3N6O2S/c18-11-2-1-4-21-15(11)16(27)17(28)24-6-10-7-26(22-12(10)8-24)29-14-3-5-25(23-14)9-13(19)20/h1-5,7,13,16,27H,6,8-9H2
InChIKeyFKAHBVDTNPTVLN-UHFFFAOYSA-N
MW424.41 g/mol
LogP2.01
Rot. Bonds6

About 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone

1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone (PubChem CID 164872324) has the molecular formula C17H15F3N6O2S and a molecular weight of 424.41 g/mol. Its IUPAC name is 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone.

Molecular Properties

Compound Name1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone
PubChem CID164872324
Molecular FormulaC17H15F3N6O2S
Molecular Weight424.41 g/mol
Exact Mass424.09
IUPAC Name1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone
SMILESO=C(C(O)c1ncccc1F)N1Cc2cn(Sc3ccn(CC(F)F)n3)nc2C1
InChIInChI=1S/C17H15F3N6O2S/c18-11-2-1-4-21-15(11)16(27)17(28)24-6-10-7-26(22-12(10)8-24)29-14-3-5-25(23-14)9-13(19)20/h1-5,7,13,16,27H,6,8-9H2
InChIKeyFKAHBVDTNPTVLN-UHFFFAOYSA-N
XLogP2.01
TPSA89.07 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.41
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone with MolForge

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Related Compounds

[3-(3-chloro-2-pyridinyl)oxetan-3-yl]-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 164872317
2-(3-fluoro-2-pyridinyl)-2-hydroxy-1-[2-[(5-methoxy-2-pyridinyl)sulfonyl]-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]ethanone
CID 156875687
2-(2-chlorophenyl)-1-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-hydroxypropan-1-one
CID 164872197
[3-(3-chloro-2-pyridinyl)oxetan-3-yl]-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 164872218
1-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-phenylethanone
CID 164872116
(2R)-2-(3-fluoro-2-pyridinyl)-3-hydroxy-1-(2-quinolin-6-ylsulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl)propan-1-one
CID 156875734
(2R)-1-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-hydroxy-2-phenylethanone
CID 164931956
2-(2-chlorophenyl)-1-[2-[1-(2,2-difluoroethyl)-5-methylpyrazol-4-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-hydroxypropan-1-one
CID 164872073
2,2-difluoro-1-(3-fluoro-2-pyridinyl)ethanol
CID 131499215
chlorobenzene;1-[2-[4-(difluoromethoxy)phenyl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]butan-1-one
CID 156875898
1-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-hydroxy-2-methyl-2-pyridin-2-ylpropan-1-one;(2S)-1-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-hydroxy-2-methyl-2-pyridin-2-ylpropan-1-one;(2R)-1-[2-[1-(2,2-difluoroethyl)pyrazol-4-yl]sulfonyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-hydroxy-2-methyl-2-pyridin-2-ylpropan-1-one
CID 167680852
2-(2-chlorophenyl)-1-[2-(2,3-dihydro-[1,4]dioxino[2,3-b]pyridin-7-ylsulfanyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-3-hydroxypropan-1-one
CID 166782767

Frequently Asked Questions

What is the IUPAC name of 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone?
The IUPAC name of 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone (CID 164872324) is 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone.
What is the SMILES notation for 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone?
The canonical SMILES for 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone is O=C(C(O)c1ncccc1F)N1Cc2cn(Sc3ccn(CC(F)F)n3)nc2C1.
What is the InChIKey of 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone?
The InChIKey is FKAHBVDTNPTVLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N6O2S/c18-11-2-1-4-21-15(11)16(27)17(28)24-6-10-7-26(22-12(10)8-24)29-14-3-5-25(23-14)9-13(19)20/h1-5,7,13,16,27H,6,8-9H2.
What are the key properties of 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone?
1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone has a molecular weight of 424.41 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[1-(2,2-difluoroethyl)pyrazol-3-yl]sulfanyl-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]-2-(3-fluoro-2-pyridinyl)-2-hydroxyethanone is sourced from PubChem (CID 164872324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).