N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C156H139F20N27O13 — CID 158488568

IUPACN-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C(=O)NC)nc3c(C)cccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cnc(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(=O)O)cc2C(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(C)C)cc2C(=O)NC2CC2)ccc1F.Cc1ccc(-c2cncnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)cc1
InChIInChI=1S/C33H29F3N6O3.C33H33F3N6O3.C31H26F3N5O2.C30H28F3N5O4.C29H23F8N5O/c1-18-6-4-8-27-29(18)41-31(33(45)38-3)42(27)17-28(43)40-26(14-19-12-21(34)16-22(35)13-19)30-23(7-5-11-39-30)20-9-10-25(36)24(15-20)32(44)37-2;1-18(2)27-16-29(33(45)39-23-7-8-23)42(41-27)17-30(43)40-28(13-19-11-21(34)15-22(35)12-19)31-24(5-4-10-38-31)20-6-9-26(36)25(14-20)32(44)37-3;1-18-10-28-21(16-37-18)7-9-39(28)17-29(40)38-27(13-19-11-22(32)15-23(33)12-19)30-24(4-3-8-36-30)20-5-6-26(34)25(14-20)31(41)35-2;1-16(2)26-14-25(30(41)42)37-38(26)15-27(39)36-24(11-17-9-19(31)13-20(32)10-17)28-21(5-4-8-35-28)18-6-7-23(33)22(12-18)29(40)34-3;1-15-2-4-17(5-3-15)20-12-38-14-39-24(20)21(10-16-8-18(30)11-19(31)9-16)40-22(43)13-42-26-23(25(41-42)27(32)33)28(34,35)6-7-29(26,36)37/h4-13,15-16,26H,14,17H2,1-3H3,(H,37,44)(H,38,45)(H,40,43);4-6,9-12,14-16,18,23,28H,7-8,13,17H2,1-3H3,(H,37,44)(H,39,45)(H,40,43);3-12,14-16,27H,13,17H2,1-2H3,(H,35,41)(H,38,40);4-10,12-14,16,24H,11,15H2,1-3H3,(H,34,40)(H,36,39)(H,41,42);2-5,8-9,11-12,14,21,27H,6-7,10,13H2,1H3,(H,40,43)/t26-;28-;27-;24-;21-/m00000/s1
InChIKeyHIKITYVFTLKZAA-SURQOJESSA-N
MW2979.96 g/mol
LogP26.35
Rot. Bonds46

About N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 158488568) has the molecular formula C156H139F20N27O13 and a molecular weight of 2979.96 g/mol. Its IUPAC name is N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID158488568
Molecular FormulaC156H139F20N27O13
Molecular Weight2979.96 g/mol
Exact Mass2978.07
IUPAC NameN-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C(=O)NC)nc3c(C)cccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cnc(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(=O)O)cc2C(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(C)C)cc2C(=O)NC2CC2)ccc1F.Cc1ccc(-c2cncnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)cc1
InChIInChI=1S/C33H29F3N6O3.C33H33F3N6O3.C31H26F3N5O2.C30H28F3N5O4.C29H23F8N5O/c1-18-6-4-8-27-29(18)41-31(33(45)38-3)42(27)17-28(43)40-26(14-19-12-21(34)16-22(35)13-19)30-23(7-5-11-39-30)20-9-10-25(36)24(15-20)32(44)37-2;1-18(2)27-16-29(33(45)39-23-7-8-23)42(41-27)17-30(43)40-28(13-19-11-21(34)15-22(35)12-19)31-24(5-4-10-38-31)20-6-9-26(36)25(14-20)32(44)37-3;1-18-10-28-21(16-37-18)7-9-39(28)17-29(40)38-27(13-19-11-22(32)15-23(33)12-19)30-24(4-3-8-36-30)20-5-6-26(34)25(14-20)31(41)35-2;1-16(2)26-14-25(30(41)42)37-38(26)15-27(39)36-24(11-17-9-19(31)13-20(32)10-17)28-21(5-4-8-35-28)18-6-7-23(33)22(12-18)29(40)34-3;1-15-2-4-17(5-3-15)20-12-38-14-39-24(20)21(10-16-8-18(30)11-19(31)9-16)40-22(43)13-42-26-23(25(41-42)27(32)33)28(34,35)6-7-29(26,36)37/h4-13,15-16,26H,14,17H2,1-3H3,(H,37,44)(H,38,45)(H,40,43);4-6,9-12,14-16,18,23,28H,7-8,13,17H2,1-3H3,(H,37,44)(H,39,45)(H,40,43);3-12,14-16,27H,13,17H2,1-2H3,(H,35,41)(H,38,40);4-10,12-14,16,24H,11,15H2,1-3H3,(H,34,40)(H,36,39)(H,41,42);2-5,8-9,11-12,14,21,27H,6-7,10,13H2,1H3,(H,40,43)/t26-;28-;27-;24-;21-/m00000/s1
InChIKeyHIKITYVFTLKZAA-SURQOJESSA-N
XLogP26.35
TPSA523.84 Ų
H-Bond Donors12
H-Bond Acceptors28
Rotatable Bonds46
Heavy Atoms216
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002979.96
LogP ≤ 526.35
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1028

Analyze N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopropyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(2R)-5-[5-(difluoromethyl)-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;ethyl 3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 157101288
N-[(1S)-1-[3-(3-acetamido-4-fluorophenyl)-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-(5-fluoro-1H-indol-3-yl)acetamide;5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[3-(4-methylphenyl)pyrazin-2-yl]pentan-2-one;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,7-dihydrocyclopenta[b]pyridin-2-one;5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157155378
(4R)-4-[3-[3-(1-aminoethenyl)-4-fluorophenyl]-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[4-hydroxy-3-(trifluoromethyl)-5,6-dihydro-4H-cyclopenta[c]pyrazol-1-yl]pentan-2-one;tert-butyl 3-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]propanoate;tert-butyl N-[[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-(4-methylphenyl)-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-6-yl]methyl]carbamate;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[6-(trifluoromethyl)-1H-indol-3-yl]acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
CID 157163689
7-[(2-Cyclopropylpyrimidin-5-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(4,4-dimethyl-2,5-dioxoimidazolidin-1-yl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;7-[(2,6-dimethyl-4-pyridinyl)methyl]-8-fluoro-4-(1-methylpyrazol-4-yl)quinoline-2-carboxamide;8-fluoro-4-(2-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide;8-fluoro-4-(3-fluoro-4-methoxyphenyl)-7-[[4-(1,1,1-trifluoro-2-hydroxybutan-2-yl)imidazol-1-yl]methyl]quinoline-2-carboxamide
CID 157204161
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[2-cyclopropyl-4-(trifluoromethyl)imidazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;5-[2-[(2R)-5-[5-(difluoromethyl)-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-fluorobenzamide;3-[2-[(2R)-1-(3,5-difluorophenyl)-5-(6-fluoro-1H-indol-3-yl)-4-oxopentan-2-yl]-3-pyridinyl]benzamide;ethyl 3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3,4-diazatricyclo[5.2.1.02,6]deca-2(6),4-diene-5-carboxylate;N-[(1S)-2-(3-fluoro-5-methylphenyl)-1-[3-(6-fluoro-5-methyl-3-pyridinyl)-2-pyridinyl]ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 157295125
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[3-(difluoromethyl)-7-hydroxy-7-methyl-5,6-dihydro-4H-indazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-1-[4-(difluoromethyl)-3-(trifluoromethyl)pyrazol-1-yl]-5-(3,5-difluorophenyl)pentan-2-one;8-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-7-(trifluoromethyl)-8,9-diazatricyclo[4.3.0.02,4]nona-1(9),6-dien-5-one;(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;(4R)-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]-1-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]pentan-2-one
CID 157314991
CID 157368021
CID 157368021
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one
CID 157736922
acetic acid;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)pyrazole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinazoline
CID 157812956
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;5-[2-[(1S)-1-[2-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157817282
N,N-dimethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]urea;[4-[3-fluoro-2-(trifluoromethyl)phenyl]piperidin-1-yl]-(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)methanone;methane;(6-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 157838535
5-[2-[(1S)-1-[[(2R)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[(2S)-2-(3-acetylindol-1-yl)butanoyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-(5,6-dimethylbenzimidazol-1-yl)-4,4,4-trifluorobutanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 157988375

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 158488568) is N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C(=O)NC)nc3c(C)cccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cnc(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(=O)O)cc2C(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(C)C)cc2C(=O)NC2CC2)ccc1F.Cc1ccc(-c2cncnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)F)c3c2C(F)(F)CCC3(F)F)cc1.
What is the InChIKey of N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is HIKITYVFTLKZAA-SURQOJESSA-N. The full InChI is InChI=1S/C33H29F3N6O3.C33H33F3N6O3.C31H26F3N5O2.C30H28F3N5O4.C29H23F8N5O/c1-18-6-4-8-27-29(18)41-31(33(45)38-3)42(27)17-28(43)40-26(14-19-12-21(34)16-22(35)13-19)30-23(7-5-11-39-30)20-9-10-25(36)24(15-20)32(44)37-2;1-18(2)27-16-29(33(45)39-23-7-8-23)42(41-27)17-30(43)40-28(13-19-11-21(34)15-22(35)12-19)31-24(5-4-10-38-31)20-6-9-26(36)25(14-20)32(44)37-3;1-18-10-28-21(16-37-18)7-9-39(28)17-29(40)38-27(13-19-11-22(32)15-23(33)12-19)30-24(4-3-8-36-30)20-5-6-26(34)25(14-20)31(41)35-2;1-16(2)26-14-25(30(41)42)37-38(26)15-27(39)36-24(11-17-9-19(31)13-20(32)10-17)28-21(5-4-8-35-28)18-6-7-23(33)22(12-18)29(40)34-3;1-15-2-4-17(5-3-15)20-12-38-14-39-24(20)21(10-16-8-18(30)11-19(31)9-16)40-22(43)13-42-26-23(25(41-42)27(32)33)28(34,35)6-7-29(26,36)37/h4-13,15-16,26H,14,17H2,1-3H3,(H,37,44)(H,38,45)(H,40,43);4-6,9-12,14-16,18,23,28H,7-8,13,17H2,1-3H3,(H,37,44)(H,39,45)(H,40,43);3-12,14-16,27H,13,17H2,1-2H3,(H,35,41)(H,38,40);4-10,12-14,16,24H,11,15H2,1-3H3,(H,34,40)(H,36,39)(H,41,42);2-5,8-9,11-12,14,21,27H,6-7,10,13H2,1H3,(H,40,43)/t26-;28-;27-;24-;21-/m00000/s1.
What are the key properties of N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2979.96 g/mol, XLogP of 26.35, 46 rotatable bonds, 12 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 158488568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).