5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane

C56H49F15N8O6 — CID 158386479

IUPAC5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane
SMILESC.C.C.CCOC(=O)Cn1nc(C(F)(F)F)c2cc(F)ccc21.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3cc(F)ccc32)Cc2cc(F)cc(F)c2)ccc1F.O=C(O)Cn1nc(C(F)(F)F)c2cc(F)ccc21
InChIInChI=1S/C31H21F7N4O2.C12H10F4N2O2.C10H6F4N2O2.3CH4/c32-19-4-6-27-25(14-19)29(31(36,37)38)41-42(27)15-22(43)11-18(8-16-9-20(33)13-21(34)10-16)28-23(2-1-7-40-28)17-3-5-26(35)24(12-17)30(39)44;1-2-20-10(19)6-18-9-4-3-7(13)5-8(9)11(17-18)12(14,15)16;11-5-1-2-7-6(3-5)9(10(12,13)14)15-16(7)4-8(17)18;;;/h1-7,9-10,12-14,18H,8,11,15H2,(H2,39,44);3-5H,2,6H2,1H3;1-3H,4H2,(H,17,18);3*1H4/t18-;;;;;/m1...../s1
InChIKeyGWKXKQFTTDNUOK-AJVOAMKVSA-N
MW1215.03 g/mol
LogP13.70
Rot. Bonds14

About 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane

5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane (PubChem CID 158386479) has the molecular formula C56H49F15N8O6 and a molecular weight of 1215.03 g/mol. Its IUPAC name is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane.

Molecular Properties

Compound Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane
PubChem CID158386479
Molecular FormulaC56H49F15N8O6
Molecular Weight1215.03 g/mol
Exact Mass1214.35
IUPAC Name5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane
SMILESC.C.C.CCOC(=O)Cn1nc(C(F)(F)F)c2cc(F)ccc21.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3cc(F)ccc32)Cc2cc(F)cc(F)c2)ccc1F.O=C(O)Cn1nc(C(F)(F)F)c2cc(F)ccc21
InChIInChI=1S/C31H21F7N4O2.C12H10F4N2O2.C10H6F4N2O2.3CH4/c32-19-4-6-27-25(14-19)29(31(36,37)38)41-42(27)15-22(43)11-18(8-16-9-20(33)13-21(34)10-16)28-23(2-1-7-40-28)17-3-5-26(35)24(12-17)30(39)44;1-2-20-10(19)6-18-9-4-3-7(13)5-8(9)11(17-18)12(14,15)16;11-5-1-2-7-6(3-5)9(10(12,13)14)15-16(7)4-8(17)18;;;/h1-7,9-10,12-14,18H,8,11,15H2,(H2,39,44);3-5H,2,6H2,1H3;1-3H,4H2,(H,17,18);3*1H4/t18-;;;;;/m1...../s1
InChIKeyGWKXKQFTTDNUOK-AJVOAMKVSA-N
XLogP13.70
TPSA190.11 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds14
Heavy Atoms85
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001215.03
LogP ≤ 513.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

Analyze 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane 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

5-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-5-(5,5-difluoro-7-methyl-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetic acid;ethyl 2-[5,5-difluoro-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(6),7-dien-9-yl]acetate;methane
CID 158173276
2-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]acetic acid;5-[2-[(2R)-5-[5-tert-butyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-tert-butyl-3-(difluoromethyl)pyrazol-1-yl]acetate;methane;oxolane
CID 160905686
5-[2-[(2R)-5-[5-(difluoromethyl)-4-ethenyl-3-(trifluoromethyl)pyrazol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
CID 158975973
5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
CID 159541925
1-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 148926034
5-[2-[(1S)-1-amino-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(2R)-1-(3,5-difluorophenyl)-5-(3-methyl-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-[3-(trifluoromethyl)-5,6,7,8-tetrahydro-4H-cyclohepta[d]pyrazol-1-yl]acetic acid
CID 160879662
5-[2-[(2R)-1-(3,5-difluorophenyl)-4-oxo-5-[3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]pentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
CID 149359750
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[3,3-difluoro-9-(trifluoromethyl)-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
CID 159052548
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[6-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide
CID 147208946
5-[2-[(2R)-5-(3-tert-butyl-5-methylpyrazol-1-yl)-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;2-[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid;ethyl 2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetate;ethyl 2-bromoacetate;bis(ethyl 2-[3-tert-butyl-5-(trifluoromethyl)pyrazol-1-yl]acetate);1,1,1-trifluoro-5,5-dimethylhexane-2,4-dione
CID 158079796
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydropyrazolo[5,4-c]pyridin-1-yl]pentan-2-one
CID 157314994
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-hydroxy-3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 158467026

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane?
The IUPAC name of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane (CID 158386479) is 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane.
What is the SMILES notation for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane?
The canonical SMILES for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane is C.C.C.CCOC(=O)Cn1nc(C(F)(F)F)c2cc(F)ccc21.NC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3cc(F)ccc32)Cc2cc(F)cc(F)c2)ccc1F.O=C(O)Cn1nc(C(F)(F)F)c2cc(F)ccc21.
What is the InChIKey of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane?
The InChIKey is GWKXKQFTTDNUOK-AJVOAMKVSA-N. The full InChI is InChI=1S/C31H21F7N4O2.C12H10F4N2O2.C10H6F4N2O2.3CH4/c32-19-4-6-27-25(14-19)29(31(36,37)38)41-42(27)15-22(43)11-18(8-16-9-20(33)13-21(34)10-16)28-23(2-1-7-40-28)17-3-5-26(35)24(12-17)30(39)44;1-2-20-10(19)6-18-9-4-3-7(13)5-8(9)11(17-18)12(14,15)16;11-5-1-2-7-6(3-5)9(10(12,13)14)15-16(7)4-8(17)18;;;/h1-7,9-10,12-14,18H,8,11,15H2,(H2,39,44);3-5H,2,6H2,1H3;1-3H,4H2,(H,17,18);3*1H4/t18-;;;;;/m1...../s1.
What are the key properties of 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane?
5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane has a molecular weight of 1215.03 g/mol, XLogP of 13.70, 14 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(2R)-1-(3,5-difluorophenyl)-5-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetate;2-[5-fluoro-3-(trifluoromethyl)indazol-1-yl]acetic acid;methane is sourced from PubChem (CID 158386479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).