3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide

C167H147ClF12N20O13 — CID 158714228

IUPAC3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)c(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccc(Cl)cc32)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=C(C)Cc3ccccc32)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(NC(=O)OC(C)(C)C)cc23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)c(C(C)=O)c3ccccc32)c1
InChIInChI=1S/C36H35F2N5O4.C34H30F2N4O3.C33H29F3N4O2.C33H29F2N3O2.C31H24ClF3N4O2/c1-36(2,3)47-35(46)42-27-10-11-30-29(19-27)24(20-41-30)17-32(44)43-31(15-21-13-25(37)18-26(38)14-21)33-28(9-6-12-40-33)22-7-5-8-23(16-22)34(45)39-4;1-20-32(21(2)41)28-10-4-5-12-30(28)40(20)19-31(42)39-29(16-22-14-25(35)18-26(36)15-22)33-27(11-7-13-38-33)23-8-6-9-24(17-23)34(43)37-3;1-19-11-23-8-10-40(30(23)12-20(19)2)18-31(41)39-29(15-21-13-24(34)17-25(35)14-21)32-26(5-4-9-38-32)22-6-7-28(36)27(16-22)33(42)37-3;1-20-13-22-7-3-4-10-27(22)29(20)19-31(39)38-30(16-21-14-25(34)18-26(35)15-21)32-28(11-6-12-37-32)23-8-5-9-24(17-23)33(40)36-2;1-36-31(41)25-14-20(5-7-26(25)35)24-3-2-9-37-30(24)27(13-18-11-22(33)16-23(34)12-18)38-29(40)17-39-10-8-19-4-6-21(32)15-28(19)39/h5-14,16,18-20,31,41H,15,17H2,1-4H3,(H,39,45)(H,42,46)(H,43,44);4-15,17-18,29H,16,19H2,1-3H3,(H,37,43)(H,39,42);4-14,16-17,29H,15,18H2,1-3H3,(H,37,42)(H,39,41);3-12,14-15,17-18,30H,13,16,19H2,1-2H3,(H,36,40)(H,38,39);2-12,14-16,27H,13,17H2,1H3,(H,36,41)(H,38,40)/t31-;2*29-;30-;27-/m00000/s1
InChIKeyIJCMPGOVHOVTKT-RHTTWDIESA-N
MW2905.57 g/mol
LogP31.45
Rot. Bonds42

About 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide

3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide (PubChem CID 158714228) has the molecular formula C167H147ClF12N20O13 and a molecular weight of 2905.57 g/mol. Its IUPAC name is 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
PubChem CID158714228
Molecular FormulaC167H147ClF12N20O13
Molecular Weight2905.57 g/mol
Exact Mass2903.10
IUPAC Name3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)c(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccc(Cl)cc32)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=C(C)Cc3ccccc32)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(NC(=O)OC(C)(C)C)cc23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)c(C(C)=O)c3ccccc32)c1
InChIInChI=1S/C36H35F2N5O4.C34H30F2N4O3.C33H29F3N4O2.C33H29F2N3O2.C31H24ClF3N4O2/c1-36(2,3)47-35(46)42-27-10-11-30-29(19-27)24(20-41-30)17-32(44)43-31(15-21-13-25(37)18-26(38)14-21)33-28(9-6-12-40-33)22-7-5-8-23(16-22)34(45)39-4;1-20-32(21(2)41)28-10-4-5-12-30(28)40(20)19-31(42)39-29(16-22-14-25(35)18-26(36)15-22)33-27(11-7-13-38-33)23-8-6-9-24(17-23)34(43)37-3;1-19-11-23-8-10-40(30(23)12-20(19)2)18-31(41)39-29(15-21-13-24(34)17-25(35)14-21)32-26(5-4-9-38-32)22-6-7-28(36)27(16-22)33(42)37-3;1-20-13-22-7-3-4-10-27(22)29(20)19-31(39)38-30(16-21-14-25(34)18-26(35)15-21)32-28(11-6-12-37-32)23-8-5-9-24(17-23)33(40)36-2;1-36-31(41)25-14-20(5-7-26(25)35)24-3-2-9-37-30(24)27(13-18-11-22(33)16-23(34)12-18)38-29(40)17-39-10-8-19-4-6-21(32)15-28(19)39/h5-14,16,18-20,31,41H,15,17H2,1-4H3,(H,39,45)(H,42,46)(H,43,44);4-15,17-18,29H,16,19H2,1-3H3,(H,37,43)(H,39,42);4-14,16-17,29H,15,18H2,1-3H3,(H,37,42)(H,39,41);3-12,14-15,17-18,30H,13,16,19H2,1-2H3,(H,36,40)(H,38,39);2-12,14-16,27H,13,17H2,1H3,(H,36,41)(H,38,40)/t31-;2*29-;30-;27-/m00000/s1
InChIKeyIJCMPGOVHOVTKT-RHTTWDIESA-N
XLogP31.45
TPSA441.43 Ų
H-Bond Donors12
H-Bond Acceptors21
Rotatable Bonds42
Heavy Atoms213
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002905.57
LogP ≤ 531.45
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1021

Analyze 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide (CID 158714228) is 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide is CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)c(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3ccc(Cl)cc32)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2=C(C)Cc3ccccc32)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccc(NC(=O)OC(C)(C)C)cc23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)c(C(C)=O)c3ccccc32)c1.
What is the InChIKey of 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The InChIKey is IJCMPGOVHOVTKT-RHTTWDIESA-N. The full InChI is InChI=1S/C36H35F2N5O4.C34H30F2N4O3.C33H29F3N4O2.C33H29F2N3O2.C31H24ClF3N4O2/c1-36(2,3)47-35(46)42-27-10-11-30-29(19-27)24(20-41-30)17-32(44)43-31(15-21-13-25(37)18-26(38)14-21)33-28(9-6-12-40-33)22-7-5-8-23(16-22)34(45)39-4;1-20-32(21(2)41)28-10-4-5-12-30(28)40(20)19-31(42)39-29(16-22-14-25(35)18-26(36)15-22)33-27(11-7-13-38-33)23-8-6-9-24(17-23)34(43)37-3;1-19-11-23-8-10-40(30(23)12-20(19)2)18-31(41)39-29(15-21-13-24(34)17-25(35)14-21)32-26(5-4-9-38-32)22-6-7-28(36)27(16-22)33(42)37-3;1-20-13-22-7-3-4-10-27(22)29(20)19-31(39)38-30(16-21-14-25(34)18-26(35)15-21)32-28(11-6-12-37-32)23-8-5-9-24(17-23)33(40)36-2;1-36-31(41)25-14-20(5-7-26(25)35)24-3-2-9-37-30(24)27(13-18-11-22(33)16-23(34)12-18)38-29(40)17-39-10-8-19-4-6-21(32)15-28(19)39/h5-14,16,18-20,31,41H,15,17H2,1-4H3,(H,39,45)(H,42,46)(H,43,44);4-15,17-18,29H,16,19H2,1-3H3,(H,37,43)(H,39,42);4-14,16-17,29H,15,18H2,1-3H3,(H,37,42)(H,39,41);3-12,14-15,17-18,30H,13,16,19H2,1-2H3,(H,36,40)(H,38,39);2-12,14-16,27H,13,17H2,1H3,(H,36,41)(H,38,40)/t31-;2*29-;30-;27-/m00000/s1.
What are the key properties of 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide has a molecular weight of 2905.57 g/mol, XLogP of 31.45, 42 rotatable bonds, 12 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1-[[2-(3-acetyl-2-methylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;tert-butyl N-[3-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-1H-indol-5-yl]carbamate;5-[2-[(1S)-1-[[2-(6-chloroindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methyl-3H-inden-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 158714228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).