(5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one

C131H156F19N17O8 — CID 158708669

IUPAC(5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
SMILESCC(F)CC1(C)CN2CCC(c3cccc(F)c3)N2C1=O.CC(F)CC1(C)CN2CC[C@@H](c3cccc(F)c3)N2C1=O.CC(F)CC1(C)CN2CC[C@H](c3cccc(F)c3)N2C1=O.CCCC1(C(F)F)CN2CC[C@@H](c3cncc(C#N)c3)N2C1=O.CCC[C@]1(C(F)F)CN2CC[C@H](c3cncc(C#N)c3)N2C1=O.Cc1cc(F)cc(C2CC[C@@H]3CC(C)(C(C)(F)F)C(=O)N23)c1.Cc1cc(F)cc(C2CC[C@H]3CC(C)(C(C)(F)F)C(=O)N23)c1.Cc1cc(F)cc([C@@H]2CC[C@H]3CC(C)(C(C)(F)F)C(=O)N32)c1
InChIInChI=1S/3C17H20F3NO.2C16H18F2N4O.3C16H20F2N2O/c3*1-10-6-11(8-12(18)7-10)14-5-4-13-9-16(2,17(3,19)20)15(22)21(13)14;2*1-2-4-16(14(17)18)10-21-5-3-13(22(21)15(16)23)12-6-11(7-19)8-20-9-12;3*1-11(17)9-16(2)10-19-7-6-14(20(19)15(16)21)12-4-3-5-13(18)8-12/h3*6-8,13-14H,4-5,9H2,1-3H3;2*6,8-9,13-14H,2-5,10H2,1H3;3*3-5,8,11,14H,6-7,9-10H2,1-2H3/t2*13-,14?,16?;13-,14-,16?;13-,16?;13-,16-;2*11?,14-,16?;/m1000110./s1
InChIKeyIILDRUVMJZXXEK-DNAICCCQSA-N
MW2457.76 g/mol
LogP26.96
Rot. Bonds23

About (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one

(5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one (PubChem CID 158708669) has the molecular formula C131H156F19N17O8 and a molecular weight of 2457.76 g/mol. Its IUPAC name is (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one.

Molecular Properties

Compound Name(5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
PubChem CID158708669
Molecular FormulaC131H156F19N17O8
Molecular Weight2457.76 g/mol
Exact Mass2456.20
IUPAC Name(5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
SMILESCC(F)CC1(C)CN2CCC(c3cccc(F)c3)N2C1=O.CC(F)CC1(C)CN2CC[C@@H](c3cccc(F)c3)N2C1=O.CC(F)CC1(C)CN2CC[C@H](c3cccc(F)c3)N2C1=O.CCCC1(C(F)F)CN2CC[C@@H](c3cncc(C#N)c3)N2C1=O.CCC[C@]1(C(F)F)CN2CC[C@H](c3cncc(C#N)c3)N2C1=O.Cc1cc(F)cc(C2CC[C@@H]3CC(C)(C(C)(F)F)C(=O)N23)c1.Cc1cc(F)cc(C2CC[C@H]3CC(C)(C(C)(F)F)C(=O)N23)c1.Cc1cc(F)cc([C@@H]2CC[C@H]3CC(C)(C(C)(F)F)C(=O)N32)c1
InChIInChI=1S/3C17H20F3NO.2C16H18F2N4O.3C16H20F2N2O/c3*1-10-6-11(8-12(18)7-10)14-5-4-13-9-16(2,17(3,19)20)15(22)21(13)14;2*1-2-4-16(14(17)18)10-21-5-3-13(22(21)15(16)23)12-6-11(7-19)8-20-9-12;3*1-11(17)9-16(2)10-19-7-6-14(20(19)15(16)21)12-4-3-5-13(18)8-12/h3*6-8,13-14H,4-5,9H2,1-3H3;2*6,8-9,13-14H,2-5,10H2,1H3;3*3-5,8,11,14H,6-7,9-10H2,1-2H3/t2*13-,14?,16?;13-,14-,16?;13-,16?;13-,16-;2*11?,14-,16?;/m1000110./s1
InChIKeyIILDRUVMJZXXEK-DNAICCCQSA-N
XLogP26.96
TPSA252.04 Ų
H-Bond Donors
H-Bond Acceptors17
Rotatable Bonds23
Heavy Atoms175
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002457.76
LogP ≤ 526.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1017

Analyze (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one with MolForge

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Related Compounds

5-[(3R,8S)-6-(1,1-difluoroethyl)-6-methyl-5-oxo-2,3,7,8-tetrahydro-1H-pyrrolizin-3-yl]pyridine-3-carbonitrile
CID 134600539
3-[(8S)-6-(1,1-difluoroethyl)-6-methyl-5-oxo-2,3,7,8-tetrahydro-1H-pyrrolizin-3-yl]-5-fluorobenzonitrile
CID 134600732
(5R,8S)-2-(1,1-difluoroethyl)-5-(3-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 134600854
(8S)-2-(1,1-difluoroethyl)-5-(3-fluorophenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 134600838
(3R,6R)-6-(2,2-difluoroethyl)-3-(3-fluorophenyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one
CID 139545638
(8R)-2-(1,1-difluoroethyl)-2-methyl-5-(5-methyl-3-pyridinyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 159886992
2-[(3S)-3-(3-fluorophenyl)-6-methyl-5-oxo-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-6-yl]acetonitrile
CID 139545623
5-[(3R,8R)-6-(difluoromethyl)-6-ethyl-5-oxo-2,3,7,8-tetrahydro-1H-pyrrolizin-3-yl]pyridine-3-carbonitrile
CID 134600840
3-[(3R)-6-ethyl-6-methyl-5-oxo-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]-5-fluorobenzonitrile
CID 139545532
3-[(3S,6R,8S)-6-(difluoromethyl)-6-ethyl-5-oxo-2,3,7,8-tetrahydro-1H-pyrrolizin-3-yl]-5-fluorobenzonitrile
CID 134600847
(2R,5R,8R)-2-(difluoromethyl)-2-ethyl-5-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 139545562
(2S,5R,8S)-2-(difluoromethyl)-2-ethyl-5-(3-fluorophenyl)-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one
CID 134600495

Frequently Asked Questions

What is the IUPAC name of (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
The IUPAC name of (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one (CID 158708669) is (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one.
What is the SMILES notation for (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
The canonical SMILES for (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one is CC(F)CC1(C)CN2CCC(c3cccc(F)c3)N2C1=O.CC(F)CC1(C)CN2CC[C@@H](c3cccc(F)c3)N2C1=O.CC(F)CC1(C)CN2CC[C@H](c3cccc(F)c3)N2C1=O.CCCC1(C(F)F)CN2CC[C@@H](c3cncc(C#N)c3)N2C1=O.CCC[C@]1(C(F)F)CN2CC[C@H](c3cncc(C#N)c3)N2C1=O.Cc1cc(F)cc(C2CC[C@@H]3CC(C)(C(C)(F)F)C(=O)N23)c1.Cc1cc(F)cc(C2CC[C@H]3CC(C)(C(C)(F)F)C(=O)N23)c1.Cc1cc(F)cc([C@@H]2CC[C@H]3CC(C)(C(C)(F)F)C(=O)N32)c1.
What is the InChIKey of (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
The InChIKey is IILDRUVMJZXXEK-DNAICCCQSA-N. The full InChI is InChI=1S/3C17H20F3NO.2C16H18F2N4O.3C16H20F2N2O/c3*1-10-6-11(8-12(18)7-10)14-5-4-13-9-16(2,17(3,19)20)15(22)21(13)14;2*1-2-4-16(14(17)18)10-21-5-3-13(22(21)15(16)23)12-6-11(7-19)8-20-9-12;3*1-11(17)9-16(2)10-19-7-6-14(20(19)15(16)21)12-4-3-5-13(18)8-12/h3*6-8,13-14H,4-5,9H2,1-3H3;2*6,8-9,13-14H,2-5,10H2,1H3;3*3-5,8,11,14H,6-7,9-10H2,1-2H3/t2*13-,14?,16?;13-,14-,16?;13-,16?;13-,16-;2*11?,14-,16?;/m1000110./s1.
What are the key properties of (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one?
(5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one has a molecular weight of 2457.76 g/mol, XLogP of 26.96, 23 rotatable bonds, 0 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8S)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;(8R)-2-(1,1-difluoroethyl)-5-(3-fluoro-5-methylphenyl)-2-methyl-5,6,7,8-tetrahydro-1H-pyrrolizin-3-one;5-[(3S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;5-[(3R,6S)-6-(difluoromethyl)-5-oxo-6-propyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-3-yl]pyridine-3-carbonitrile;(3R)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;(3S)-3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one;3-(3-fluorophenyl)-6-(2-fluoropropyl)-6-methyl-1,2,3,7-tetrahydropyrazolo[1,2-a]pyrazol-5-one is sourced from PubChem (CID 158708669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).