(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane

C166H152F19N19O8 — CID 160774464

IUPAC(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane
SMILESC.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(CC(C)C)cc2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(N3CCCC3)nc2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2ccc(OC(C)C)cc2)c1.Cc1nnc(-c2cccc(-c3cccnc3[C@@H](CC(=O)Cc3c[nH]c4ccc(F)cc34)Cc3cc(F)cc(F)c3)c2)o1
InChIInChI=1S/C34H33F2N3O.C33H34F4N4O2.C33H25F3N4O2.C33H31F2N5O.C32H25F8N3O2.CH4/c1-21(2)13-23-6-8-25(9-7-23)29-5-4-12-37-34(29)32(17-24-14-22(3)15-28(36)16-24)39-33(40)18-26-20-38-31-11-10-27(35)19-30(26)31;1-20(2)43-25-12-10-23(11-13-25)26-8-6-14-38-31(26)28(18-22-15-21(3)16-24(34)17-22)39-30(42)19-41-29-9-5-4-7-27(29)32(40-41)33(35,36)37;1-19-39-40-33(42-19)22-5-2-4-21(13-22)29-6-3-9-37-32(29)23(10-20-11-26(35)16-27(36)12-20)14-28(41)15-24-18-38-31-8-7-25(34)17-30(24)31;1-21-13-22(15-26(35)14-21)16-30(39-32(41)17-24-20-37-29-8-7-25(34)18-28(24)29)33-27(5-4-10-36-33)23-6-9-31(38-19-23)40-11-2-3-12-40;1-17(44)25-14-19(6-7-26(25)35)24-4-3-9-41-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(45)16-43-27-5-2-8-31(36,37)28(27)30(42-43)32(38,39)40;/h4-12,14-16,19-21,32,38H,13,17-18H2,1-3H3,(H,39,40);6,8,10-17,20,28H,4-5,7,9,18-19H2,1-3H3,(H,39,42);2-9,11-13,16-18,23,38H,10,14-15H2,1H3;4-10,13-15,18-20,30,37H,2-3,11-12,16-17H2,1H3,(H,39,41);3-4,6-7,9,11-12,14-15,20H,2,5,8,10,13,16H2,1H3;1H4/t32-;28-;23-;30-;20-;/m00101./s1
InChIKeyRZTJHIYGZIXQMY-GBQUXZSUSA-N
MW2902.13 g/mol
LogP37.46
Rot. Bonds44

About (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane (PubChem CID 160774464) has the molecular formula C166H152F19N19O8 and a molecular weight of 2902.13 g/mol. Its IUPAC name is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane.

Molecular Properties

Compound Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane
PubChem CID160774464
Molecular FormulaC166H152F19N19O8
Molecular Weight2902.13 g/mol
Exact Mass2900.18
IUPAC Name(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane
SMILESC.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(CC(C)C)cc2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(N3CCCC3)nc2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2ccc(OC(C)C)cc2)c1.Cc1nnc(-c2cccc(-c3cccnc3[C@@H](CC(=O)Cc3c[nH]c4ccc(F)cc34)Cc3cc(F)cc(F)c3)c2)o1
InChIInChI=1S/C34H33F2N3O.C33H34F4N4O2.C33H25F3N4O2.C33H31F2N5O.C32H25F8N3O2.CH4/c1-21(2)13-23-6-8-25(9-7-23)29-5-4-12-37-34(29)32(17-24-14-22(3)15-28(36)16-24)39-33(40)18-26-20-38-31-11-10-27(35)19-30(26)31;1-20(2)43-25-12-10-23(11-13-25)26-8-6-14-38-31(26)28(18-22-15-21(3)16-24(34)17-22)39-30(42)19-41-29-9-5-4-7-27(29)32(40-41)33(35,36)37;1-19-39-40-33(42-19)22-5-2-4-21(13-22)29-6-3-9-37-32(29)23(10-20-11-26(35)16-27(36)12-20)14-28(41)15-24-18-38-31-8-7-25(34)17-30(24)31;1-21-13-22(15-26(35)14-21)16-30(39-32(41)17-24-20-37-29-8-7-25(34)18-28(24)29)33-27(5-4-10-36-33)23-6-9-31(38-19-23)40-11-2-3-12-40;1-17(44)25-14-19(6-7-26(25)35)24-4-3-9-41-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(45)16-43-27-5-2-8-31(36,37)28(27)30(42-43)32(38,39)40;/h4-12,14-16,19-21,32,38H,13,17-18H2,1-3H3,(H,39,40);6,8,10-17,20,28H,4-5,7,9,18-19H2,1-3H3,(H,39,42);2-9,11-13,16-18,23,38H,10,14-15H2,1H3;4-10,13-15,18-20,30,37H,2-3,11-12,16-17H2,1H3,(H,39,41);3-4,6-7,9,11-12,14-15,20H,2,5,8,10,13,16H2,1H3;1H4/t32-;28-;23-;30-;20-;/m00101./s1
InChIKeyRZTJHIYGZIXQMY-GBQUXZSUSA-N
XLogP37.46
TPSA350.25 Ų
H-Bond Donors6
H-Bond Acceptors21
Rotatable Bonds44
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002902.13
LogP ≤ 537.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1021

Analyze (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane with MolForge

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Related Compounds

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 158342931
N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 90162802
3-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-2-(3-fluoro-5-methylphenyl)ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylic acid;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-(3-methylsulfonylphenyl)-2-pyridinyl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-4-[3-(1H-inden-5-yl)-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 159942861
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 157439157
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 89351003
1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4,4-difluoro-3-(trifluoromethyl)-5,6-dihydroindazol-7-one;(4R)-4-[3-[3-(1-aminoethenyl)-4-chlorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)pentan-2-one;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-naphthalen-1-yl-2-pyridinyl)ethyl]acetamide;2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-(3-quinolin-6-yl-2-pyridinyl)ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-methylsulfonylphenyl)-2-pyridinyl]ethyl]acetamide
CID 162207362
5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-dien-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide;(4R)-1-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-5-(3,5-difluorophenyl)-4-(3-pyrido[2,3-b]pyrazin-7-yl-2-pyridinyl)pentan-2-one;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylphenyl)-2-pyridinyl]ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;(4R)-5-(3,5-difluorophenyl)-4-[3-[3-(trifluoromethoxy)phenyl]-2-pyridinyl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 158742739
(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one
CID 157211775
5-[2-[2-(3,5-difluorophenyl)-1-[[2-[4,4-difluoro-3-(trifluoromethyl)-5,6-dihydrocyclopenta[c]pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 90150204
N-[(1S)-1-[3-(2,4-dichlorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;N-[4-[2-[(1S)-1-[[2-[3-(difluoromethyl)-6,6-difluoro-4,5-dihydrocyclopenta[d]pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]phenyl]pyrrolidine-1-carboxamide;N-[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-morpholin-4-ylsulfonylphenyl)-2-pyridinyl]ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[4-oxo-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-[(4R)-4-[3-(3-carbamoyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-diene-5-carboxylate
CID 160658398
N-[(1R)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1S)-1-[3-(4-ethylphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;N-[(1S)-2-(3-fluorophenyl)-1-[3-(2-methylphenyl)-2-pyridinyl]ethyl]-2-(5-hydroxy-1H-indol-3-yl)acetamide;N-[(1R)-1-[3-(4-methoxyphenyl)-2-pyridinyl]-2-phenylethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 161431650
(4R)-5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[3-(4-methoxyphenyl)-2-pyridinyl]pentan-2-one;5-(3,5-difluorophenyl)-1-(6-hydroxy-3H-inden-1-yl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]pentan-2-one;5-(3,5-difluorophenyl)-4-[4-(2-methylphenyl)pyrimidin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;2-(5-hydroxy-1H-indol-3-yl)-N-[(1S)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide;2-(5-hydroxy-1H-indol-3-yl)-N-[(1R)-1-[3-(2-methylphenyl)-2-pyridinyl]-2-phenylethyl]acetamide
CID 157220267

Frequently Asked Questions

What is the IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane?
The IUPAC name of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane (CID 160774464) is (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane.
What is the SMILES notation for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane?
The canonical SMILES for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane is C.CC(=O)c1cc(-c2cccnc2[C@@H](CC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3(F)F)Cc2cc(F)cc(F)c2)ccc1F.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(CC(C)C)cc2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cc2c[nH]c3ccc(F)cc23)c2ncccc2-c2ccc(N3CCCC3)nc2)c1.Cc1cc(F)cc(C[C@H](NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c2ncccc2-c2ccc(OC(C)C)cc2)c1.Cc1nnc(-c2cccc(-c3cccnc3[C@@H](CC(=O)Cc3c[nH]c4ccc(F)cc34)Cc3cc(F)cc(F)c3)c2)o1.
What is the InChIKey of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane?
The InChIKey is RZTJHIYGZIXQMY-GBQUXZSUSA-N. The full InChI is InChI=1S/C34H33F2N3O.C33H34F4N4O2.C33H25F3N4O2.C33H31F2N5O.C32H25F8N3O2.CH4/c1-21(2)13-23-6-8-25(9-7-23)29-5-4-12-37-34(29)32(17-24-14-22(3)15-28(36)16-24)39-33(40)18-26-20-38-31-11-10-27(35)19-30(26)31;1-20(2)43-25-12-10-23(11-13-25)26-8-6-14-38-31(26)28(18-22-15-21(3)16-24(34)17-22)39-30(42)19-41-29-9-5-4-7-27(29)32(40-41)33(35,36)37;1-19-39-40-33(42-19)22-5-2-4-21(13-22)29-6-3-9-37-32(29)23(10-20-11-26(35)16-27(36)12-20)14-28(41)15-24-18-38-31-8-7-25(34)17-30(24)31;1-21-13-22(15-26(35)14-21)16-30(39-32(41)17-24-20-37-29-8-7-25(34)18-28(24)29)33-27(5-4-10-36-33)23-6-9-31(38-19-23)40-11-2-3-12-40;1-17(44)25-14-19(6-7-26(25)35)24-4-3-9-41-29(24)20(10-18-11-21(33)15-22(34)12-18)13-23(45)16-43-27-5-2-8-31(36,37)28(27)30(42-43)32(38,39)40;/h4-12,14-16,19-21,32,38H,13,17-18H2,1-3H3,(H,39,40);6,8,10-17,20,28H,4-5,7,9,18-19H2,1-3H3,(H,39,42);2-9,11-13,16-18,23,38H,10,14-15H2,1H3;4-10,13-15,18-20,30,37H,2-3,11-12,16-17H2,1H3,(H,39,41);3-4,6-7,9,11-12,14-15,20H,2,5,8,10,13,16H2,1H3;1H4/t32-;28-;23-;30-;20-;/m00101./s1.
What are the key properties of (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane?
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane has a molecular weight of 2902.13 g/mol, XLogP of 37.46, 44 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4,4-difluoro-3-(trifluoromethyl)-6,7-dihydro-5H-indazol-1-yl]pentan-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5-fluoro-1H-indol-3-yl)-4-[3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-2-pyridinyl]pentan-2-one;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-[4-(2-methylpropyl)phenyl]-2-pyridinyl]ethyl]acetamide;2-(5-fluoro-1H-indol-3-yl)-N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-pyrrolidin-1-yl-3-pyridinyl)-2-pyridinyl]ethyl]acetamide;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(4-propan-2-yloxyphenyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide;methane is sourced from PubChem (CID 160774464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).