3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide

C194H175F12N23O17 — CID 162163043

IUPAC3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide
SMILESCNC(=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)Cc2ccc(OC)cc2OC)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2ccccc2)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)cc3ccccc32)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cc(C(C)=O)c3ccccc32)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)c(C)cc32)c1
InChIInChI=1S/C36H35F2N5O4.C33H28F2N4O3.C33H30F2N4O2.C32H28F2N4O2.C31H29F2N3O4.C29H25F2N3O2/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(40)28-18-39(30-11-4-3-9-27(28)30)19-31(41)38-29(15-21-13-24(34)17-25(35)14-21)32-26(10-6-12-37-32)22-7-5-8-23(16-22)33(42)36-2;1-20-12-24-9-11-39(30(24)13-21(20)2)19-31(40)38-29(16-22-14-26(34)18-27(35)15-22)32-28(8-5-10-37-32)23-6-4-7-25(17-23)33(41)36-3;1-20-13-23-7-3-4-11-29(23)38(20)19-30(39)37-28(16-21-14-25(33)18-26(34)15-21)31-27(10-6-12-36-31)22-8-5-9-24(17-22)32(40)35-2;1-34-31(38)22-7-4-6-20(15-22)26-8-5-11-35-30(26)27(14-19-12-23(32)17-24(33)13-19)36-29(37)16-21-9-10-25(39-2)18-28(21)40-3;1-32-29(36)22-10-5-9-21(17-22)25-11-6-12-33-28(25)26(15-20-13-23(30)18-24(31)14-20)34-27(35)16-19-7-3-2-4-8-19/h5-14,16,18-20,31,41H,15,17H2,1-4H3,(H,39,45)(H,42,46)(H,43,44);3-14,16-18,29H,15,19H2,1-2H3,(H,36,42)(H,38,41);4-15,17-18,29H,16,19H2,1-3H3,(H,36,41)(H,38,40);3-15,17-18,28H,16,19H2,1-2H3,(H,35,40)(H,37,39);4-13,15,17-18,27H,14,16H2,1-3H3,(H,34,38)(H,36,37);2-14,17-18,26H,15-16H2,1H3,(H,32,36)(H,34,35)/t31-;2*29-;28-;27-;26-/m000000/s1
InChIKeyZMTCMHYEPUBPMP-QNTRHZGLSA-N
MW3328.65 g/mol
LogP34.38
Rot. Bonds52

About 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide

3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide (PubChem CID 162163043) has the molecular formula C194H175F12N23O17 and a molecular weight of 3328.65 g/mol. Its IUPAC name is 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide
PubChem CID162163043
Molecular FormulaC194H175F12N23O17
Molecular Weight3328.65 g/mol
Exact Mass3326.33
IUPAC Name3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide
SMILESCNC(=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)Cc2ccc(OC)cc2OC)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2ccccc2)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)cc3ccccc32)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cc(C(C)=O)c3ccccc32)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)c(C)cc32)c1
InChIInChI=1S/C36H35F2N5O4.C33H28F2N4O3.C33H30F2N4O2.C32H28F2N4O2.C31H29F2N3O4.C29H25F2N3O2/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(40)28-18-39(30-11-4-3-9-27(28)30)19-31(41)38-29(15-21-13-24(34)17-25(35)14-21)32-26(10-6-12-37-32)22-7-5-8-23(16-22)33(42)36-2;1-20-12-24-9-11-39(30(24)13-21(20)2)19-31(40)38-29(16-22-14-26(34)18-27(35)15-22)32-28(8-5-10-37-32)23-6-4-7-25(17-23)33(41)36-3;1-20-13-23-7-3-4-11-29(23)38(20)19-30(39)37-28(16-21-14-25(33)18-26(34)15-21)31-27(10-6-12-36-31)22-8-5-9-24(17-22)32(40)35-2;1-34-31(38)22-7-4-6-20(15-22)26-8-5-11-35-30(26)27(14-19-12-23(32)17-24(33)13-19)36-29(37)16-21-9-10-25(39-2)18-28(21)40-3;1-32-29(36)22-10-5-9-21(17-22)25-11-6-12-33-28(25)26(15-20-13-23(30)18-24(31)14-20)34-27(35)16-19-7-3-2-4-8-19/h5-14,16,18-20,31,41H,15,17H2,1-4H3,(H,39,45)(H,42,46)(H,43,44);3-14,16-18,29H,15,19H2,1-2H3,(H,36,42)(H,38,41);4-15,17-18,29H,16,19H2,1-3H3,(H,36,41)(H,38,40);3-15,17-18,28H,16,19H2,1-2H3,(H,35,40)(H,37,39);4-13,15,17-18,27H,14,16H2,1-3H3,(H,34,38)(H,36,37);2-14,17-18,26H,15-16H2,1H3,(H,32,36)(H,34,35)/t31-;2*29-;28-;27-;26-/m000000/s1
InChIKeyZMTCMHYEPUBPMP-QNTRHZGLSA-N
XLogP34.38
TPSA530.98 Ų
H-Bond Donors14
H-Bond Acceptors26
Rotatable Bonds52
Heavy Atoms246
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003328.65
LogP ≤ 534.38
H-Bond Donors ≤ 514
H-Bond Acceptors ≤ 1026

Analyze 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)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-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The IUPAC name of 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide (CID 162163043) is 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide.
What is the SMILES notation for 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The canonical SMILES for 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide is 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)Cc2ccc(OC)cc2OC)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2ccccc2)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2c(C)cc3ccccc32)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2cc(C(C)=O)c3ccccc32)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2ccc3cc(C)c(C)cc32)c1.
What is the InChIKey of 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
The InChIKey is ZMTCMHYEPUBPMP-QNTRHZGLSA-N. The full InChI is InChI=1S/C36H35F2N5O4.C33H28F2N4O3.C33H30F2N4O2.C32H28F2N4O2.C31H29F2N3O4.C29H25F2N3O2/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(40)28-18-39(30-11-4-3-9-27(28)30)19-31(41)38-29(15-21-13-24(34)17-25(35)14-21)32-26(10-6-12-37-32)22-7-5-8-23(16-22)33(42)36-2;1-20-12-24-9-11-39(30(24)13-21(20)2)19-31(40)38-29(16-22-14-26(34)18-27(35)15-22)32-28(8-5-10-37-32)23-6-4-7-25(17-23)33(41)36-3;1-20-13-23-7-3-4-11-29(23)38(20)19-30(39)37-28(16-21-14-25(33)18-26(34)15-21)31-27(10-6-12-36-31)22-8-5-9-24(17-22)32(40)35-2;1-34-31(38)22-7-4-6-20(15-22)26-8-5-11-35-30(26)27(14-19-12-23(32)17-24(33)13-19)36-29(37)16-21-9-10-25(39-2)18-28(21)40-3;1-32-29(36)22-10-5-9-21(17-22)25-11-6-12-33-28(25)26(15-20-13-23(30)18-24(31)14-20)34-27(35)16-19-7-3-2-4-8-19/h5-14,16,18-20,31,41H,15,17H2,1-4H3,(H,39,45)(H,42,46)(H,43,44);3-14,16-18,29H,15,19H2,1-2H3,(H,36,42)(H,38,41);4-15,17-18,29H,16,19H2,1-3H3,(H,36,41)(H,38,40);3-15,17-18,28H,16,19H2,1-2H3,(H,35,40)(H,37,39);4-13,15,17-18,27H,14,16H2,1-3H3,(H,34,38)(H,36,37);2-14,17-18,26H,15-16H2,1H3,(H,32,36)(H,34,35)/t31-;2*29-;28-;27-;26-/m000000/s1.
What are the key properties of 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide?
3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide has a molecular weight of 3328.65 g/mol, XLogP of 34.38, 52 rotatable bonds, 14 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-1-[[2-(3-acetylindol-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;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2,4-dimethoxyphenyl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,6-dimethylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(2-methylindol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(2-phenylacetyl)amino]ethyl]-3-pyridinyl]-N-methylbenzamide is sourced from PubChem (CID 162163043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).