5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-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;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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

C163H135F21N20O10 — CID 160584166

IUPAC5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-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;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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
SMILESC=C1Cc2cc(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)ccc2N1.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)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3c(F)cc(F)cc32)c1
InChIInChI=1S/C35H31F3N4O3.C33H26F8N4O.2C32H27F3N4O2.C31H24F4N4O2/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;1-17-9-20-13-19(4-5-26(20)43-17)25-3-2-8-42-28(25)21(10-18-11-22(34)15-23(35)12-18)14-24(46)16-45-30-27(29(44-45)31(36)37)32(38,39)6-7-33(30,40)41;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/h5-15,17-19,30-31H,4,16H2,1-3H3,(H,39,44)(H,41,45);2-5,8,11-13,15,21,31,43H,1,6-7,9-10,14,16H2;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)/t30-,31?;21-;2*28-;27-/m01000/s1
InChIKeyRCEBGOKOZPLMNC-JTWJJYLMSA-N
MW2932.96 g/mol
LogP32.84
Rot. Bonds43

About 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-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;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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 160584166) has the molecular formula C163H135F21N20O10 and a molecular weight of 2932.96 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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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 CID160584166
Molecular FormulaC163H135F21N20O10
Molecular Weight2932.96 g/mol
Exact Mass2931.03
IUPAC Name5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-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;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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
SMILESC=C1Cc2cc(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)ccc2N1.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)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3c(F)cc(F)cc32)c1
InChIInChI=1S/C35H31F3N4O3.C33H26F8N4O.2C32H27F3N4O2.C31H24F4N4O2/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;1-17-9-20-13-19(4-5-26(20)43-17)25-3-2-8-42-28(25)21(10-18-11-22(34)15-23(35)12-18)14-24(46)16-45-30-27(29(44-45)31(36)37)32(38,39)6-7-33(30,40)41;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/h5-15,17-19,30-31H,4,16H2,1-3H3,(H,39,44)(H,41,45);2-5,8,11-13,15,21,31,43H,1,6-7,9-10,14,16H2;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)/t30-,31?;21-;2*28-;27-/m01000/s1
InChIKeyRCEBGOKOZPLMNC-JTWJJYLMSA-N
XLogP32.84
TPSA380.96 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds43
Heavy Atoms214
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002932.96
LogP ≤ 532.84
H-Bond Donors ≤ 59
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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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
CID 118711178
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
CID 118711179
US9796741, cmp No. 140
CID 118323600
US9796741, cmp No. 125
CID 118323713
US12473304, Example 95
CID 156828907
US12473304, Example 376
CID 156829763
US12473304, Example 96
CID 168765940
US20240335431, Example 36
CID 172193293
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
CID 123380610
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
CID 132181682

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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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 160584166) is 5-[2-[(1S)-1-[2-(3-acetylindol-1-yl)butanoylamino]-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;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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 C=C1Cc2cc(-c3cccnc3[C@@H](CC(=O)Cn3nc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)ccc2N1.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)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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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 RCEBGOKOZPLMNC-JTWJJYLMSA-N. The full InChI is InChI=1S/C35H31F3N4O3.C33H26F8N4O.2C32H27F3N4O2.C31H24F4N4O2/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;1-17-9-20-13-19(4-5-26(20)43-17)25-3-2-8-42-28(25)21(10-18-11-22(34)15-23(35)12-18)14-24(46)16-45-30-27(29(44-45)31(36)37)32(38,39)6-7-33(30,40)41;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/h5-15,17-19,30-31H,4,16H2,1-3H3,(H,39,44)(H,41,45);2-5,8,11-13,15,21,31,43H,1,6-7,9-10,14,16H2;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)/t30-,31?;21-;2*28-;27-/m01000/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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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 2932.96 g/mol, XLogP of 32.84, 43 rotatable bonds, 9 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;3-[2-[(1S)-1-[[2-(4,6-difluoroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[3-(2-methylidene-1,3-dihydroindol-5-yl)-2-pyridinyl]pentan-2-one;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 160584166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).