5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C158H129F22N21O11 — CID 161399141

IUPAC5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(C)=O)c2ccccc21.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)ccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccc(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2C(F)(F)F)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3c(F)cc(F)cc32)c1
InChIInChI=1S/C35H31F3N4O3.2C32H27F3N4O2.C31H24F4N4O2.C28H20F9N5O2/c1-4-31(42-19-28(20(2)43)26-8-5-6-10-32(26)42)35(45)41-30(16-21-14-23(36)18-24(37)15-21)33-25(9-7-13-40-33)22-11-12-29(38)27(17-22)34(44)39-3;1-19-5-8-29-22(12-19)9-11-39(29)18-30(40)38-28(15-20-13-23(33)17-24(34)14-20)31-25(4-3-10-37-31)21-6-7-27(35)26(16-21)32(41)36-2;1-19-5-6-21-9-11-39(29(21)12-19)18-30(40)38-28(15-20-13-23(33)17-24(34)14-20)31-25(4-3-10-37-31)22-7-8-27(35)26(16-22)32(41)36-2;1-36-31(41)20-5-2-4-19(13-20)24-6-3-8-37-30(24)27(12-18-10-21(32)14-22(33)11-18)38-29(40)17-39-9-7-25-26(35)15-23(34)16-28(25)39;1-38-26(44)19-10-15(4-5-20(19)31)18-3-2-6-39-25(18)21(9-14-7-16(29)11-17(30)8-14)40-24(43)13-42-23(28(35,36)37)12-22(41-42)27(32,33)34/h5-15,17-19,30-31H,4,16H2,1-3H3,(H,39,44)(H,41,45);2*3-14,16-17,28H,15,18H2,1-2H3,(H,36,41)(H,38,40);2-11,13-16,27H,12,17H2,1H3,(H,36,41)(H,38,40);2-8,10-12,21H,9,13H2,1H3,(H,38,44)(H,40,43)/t30-,31?;2*28-;27-;21-/m00000/s1
InChIKeyVTZSVTSORPASLA-IJBYABMRSA-N
MW2915.86 g/mol
LogP30.09
Rot. Bonds42

About 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 161399141) has the molecular formula C158H129F22N21O11 and a molecular weight of 2915.86 g/mol. Its IUPAC name is 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID161399141
Molecular FormulaC158H129F22N21O11
Molecular Weight2915.86 g/mol
Exact Mass2913.98
IUPAC Name5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(C)=O)c2ccccc21.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)ccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccc(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2C(F)(F)F)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3c(F)cc(F)cc32)c1
InChIInChI=1S/C35H31F3N4O3.2C32H27F3N4O2.C31H24F4N4O2.C28H20F9N5O2/c1-4-31(42-19-28(20(2)43)26-8-5-6-10-32(26)42)35(45)41-30(16-21-14-23(36)18-24(37)15-21)33-25(9-7-13-40-33)22-11-12-29(38)27(17-22)34(44)39-3;1-19-5-8-29-22(12-19)9-11-39(29)18-30(40)38-28(15-20-13-23(33)17-24(34)14-20)31-25(4-3-10-37-31)21-6-7-27(35)26(16-21)32(41)36-2;1-19-5-6-21-9-11-39(29(21)12-19)18-30(40)38-28(15-20-13-23(33)17-24(34)14-20)31-25(4-3-10-37-31)22-7-8-27(35)26(16-22)32(41)36-2;1-36-31(41)20-5-2-4-19(13-20)24-6-3-8-37-30(24)27(12-18-10-21(32)14-22(33)11-18)38-29(40)17-39-9-7-25-26(35)15-23(34)16-28(25)39;1-38-26(44)19-10-15(4-5-20(19)31)18-3-2-6-39-25(18)21(9-14-7-16(29)11-17(30)8-14)40-24(43)13-42-23(28(35,36)37)12-22(41-42)27(32,33)34/h5-15,17-19,30-31H,4,16H2,1-3H3,(H,39,44)(H,41,45);2*3-14,16-17,28H,15,18H2,1-2H3,(H,36,41)(H,38,40);2-11,13-16,27H,12,17H2,1H3,(H,36,41)(H,38,40);2-8,10-12,21H,9,13H2,1H3,(H,38,44)(H,40,43)/t30-,31?;2*28-;27-;21-/m00000/s1
InChIKeyVTZSVTSORPASLA-IJBYABMRSA-N
XLogP30.09
TPSA410.06 Ų
H-Bond Donors10
H-Bond Acceptors22
Rotatable Bonds42
Heavy Atoms212
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002915.86
LogP ≤ 530.09
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1022

Analyze 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-1-[2-[(1S,4S)-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]-5-methylindole-3-carboxamide
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N-[4-(4-butanoyl-5-methylpyrazol-1-yl)phenyl]-5-methyl-1-[2-[(1S,4S)-5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]-2-oxoethyl]indole-3-carboxamide
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US9796741, cmp No. 140
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US9796741, cmp No. 125
CID 118323713
US12473304, Example 96
CID 168765940
1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(1-methylpyrazol-4-yl)piperidin-3-yl]pyrrolidine-2-carboxamide
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1-[2-(3-acetyl-5-pyridazin-4-ylindol-1-yl)acetyl]-4-fluoro-N-[1-(2-fluoro-5-methylphenyl)-2-oxopiperidin-3-yl]pyrrolidine-2-carboxamide
CID 123422511
1-[[7-(difluoromethyl)-1-[1-ethyl-3-(methylcarbamoyl)indol-5-yl]-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methylindole-3-carboxamide
CID 132181495
N-[2-[4-[7-(difluoromethyl)-1-[6-fluoro-1-methyl-3-(methylcarbamoyl)indol-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]ethyl]-5-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1,6-dimethylindole-3-carboxamide
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N-[2-[4-[7-(difluoromethyl)-1-[1-[[7-(difluoromethyl)-1-(1,3-dimethyl-2-oxo-7-propylbenzimidazol-5-yl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-3-yl]methyl]-7-methyl-3-(methylcarbamoyl)indol-5-yl]-3,4-dihydro-2H-quinolin-6-yl]pyrazol-1-yl]ethyl]-1-methyl-3-[3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-2-oxobenzimidazole-5-carboxamide
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N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[4,3-b]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[4,3-b]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137087958

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 161399141) is 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CCC(C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(C)=O)c2ccccc21.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)ccc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccc(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2C(F)(F)F)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3c(F)cc(F)cc32)c1.
What is the InChIKey of 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is VTZSVTSORPASLA-IJBYABMRSA-N. The full InChI is InChI=1S/C35H31F3N4O3.2C32H27F3N4O2.C31H24F4N4O2.C28H20F9N5O2/c1-4-31(42-19-28(20(2)43)26-8-5-6-10-32(26)42)35(45)41-30(16-21-14-23(36)18-24(37)15-21)33-25(9-7-13-40-33)22-11-12-29(38)27(17-22)34(44)39-3;1-19-5-8-29-22(12-19)9-11-39(29)18-30(40)38-28(15-20-13-23(33)17-24(34)14-20)31-25(4-3-10-37-31)21-6-7-27(35)26(16-21)32(41)36-2;1-19-5-6-21-9-11-39(29(21)12-19)18-30(40)38-28(15-20-13-23(33)17-24(34)14-20)31-25(4-3-10-37-31)22-7-8-27(35)26(16-22)32(41)36-2;1-36-31(41)20-5-2-4-19(13-20)24-6-3-8-37-30(24)27(12-18-10-21(32)14-22(33)11-18)38-29(40)17-39-9-7-25-26(35)15-23(34)16-28(25)39;1-38-26(44)19-10-15(4-5-20(19)31)18-3-2-6-39-25(18)21(9-14-7-16(29)11-17(30)8-14)40-24(43)13-42-23(28(35,36)37)12-22(41-42)27(32,33)34/h5-15,17-19,30-31H,4,16H2,1-3H3,(H,39,44)(H,41,45);2*3-14,16-17,28H,15,18H2,1-2H3,(H,36,41)(H,38,40);2-11,13-16,27H,12,17H2,1H3,(H,36,41)(H,38,40);2-8,10-12,21H,9,13H2,1H3,(H,38,44)(H,40,43)/t30-,31?;2*28-;27-;21-/m00000/s1.
What are the key properties of 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2915.86 g/mol, XLogP of 30.09, 42 rotatable bonds, 10 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[3,5-bis(trifluoromethyl)pyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 161399141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).