5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane

C119H108F24N20O8 — CID 160505895

IUPAC5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane
SMILESC.CC(C)C[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1ccc(C(F)(F)F)n1.CC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(F)(F)F)cn1.CC[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1cc(C(F)(F)F)cn1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](CC(C)C)n2ccc(C(F)(F)F)n2)ccc1F
InChIInChI=1S/C31H29F6N5O2.C30H27F6N5O2.C29H25F6N5O2.C28H23F6N5O2.CH4/c1-17(2)11-26(42-10-8-27(41-42)31(35,36)37)30(44)40-25(14-18-12-20(32)16-21(33)13-18)28-22(5-4-9-39-28)19-6-7-24(34)23(15-19)29(43)38-3;1-16(2)10-25(41-9-7-26(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)27-21(4-3-8-38-27)18-5-6-23(33)22(14-18)28(37)42;1-3-25(40-15-18(14-38-40)29(33,34)35)28(42)39-24(11-16-9-19(30)13-20(31)10-16)26-21(5-4-8-37-26)17-6-7-23(32)22(12-17)27(41)36-2;1-2-24(39-14-17(13-37-39)28(32,33)34)27(41)38-23(10-15-8-18(29)12-19(30)9-15)25-20(4-3-7-36-25)16-5-6-22(31)21(11-16)26(35)40;/h4-10,12-13,15-17,25-26H,11,14H2,1-3H3,(H,38,43)(H,40,44);3-9,11-12,14-16,24-25H,10,13H2,1-2H3,(H2,37,42)(H,39,43);4-10,12-15,24-25H,3,11H2,1-2H3,(H,36,41)(H,39,42);3-9,11-14,23-24H,2,10H2,1H3,(H2,35,40)(H,38,41);1H4/t25-,26+;2*24-,25-;23-,24+;/m0000./s1
InChIKeyQSJYYYAYMUFSDR-BLJQULEQSA-N
MW2402.26 g/mol
LogP24.56
Rot. Bonds38

About 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane

5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane (PubChem CID 160505895) has the molecular formula C119H108F24N20O8 and a molecular weight of 2402.26 g/mol. Its IUPAC name is 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane.

Molecular Properties

Compound Name5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane
PubChem CID160505895
Molecular FormulaC119H108F24N20O8
Molecular Weight2402.26 g/mol
Exact Mass2400.83
IUPAC Name5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane
SMILESC.CC(C)C[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1ccc(C(F)(F)F)n1.CC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(F)(F)F)cn1.CC[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1cc(C(F)(F)F)cn1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](CC(C)C)n2ccc(C(F)(F)F)n2)ccc1F
InChIInChI=1S/C31H29F6N5O2.C30H27F6N5O2.C29H25F6N5O2.C28H23F6N5O2.CH4/c1-17(2)11-26(42-10-8-27(41-42)31(35,36)37)30(44)40-25(14-18-12-20(32)16-21(33)13-18)28-22(5-4-9-39-28)19-6-7-24(34)23(15-19)29(43)38-3;1-16(2)10-25(41-9-7-26(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)27-21(4-3-8-38-27)18-5-6-23(33)22(14-18)28(37)42;1-3-25(40-15-18(14-38-40)29(33,34)35)28(42)39-24(11-16-9-19(30)13-20(31)10-16)26-21(5-4-8-37-26)17-6-7-23(32)22(12-17)27(41)36-2;1-2-24(39-14-17(13-37-39)28(32,33)34)27(41)38-23(10-15-8-18(29)12-19(30)9-15)25-20(4-3-7-36-25)16-5-6-22(31)21(11-16)26(35)40;/h4-10,12-13,15-17,25-26H,11,14H2,1-3H3,(H,38,43)(H,40,44);3-9,11-12,14-16,24-25H,10,13H2,1-2H3,(H2,37,42)(H,39,43);4-10,12-15,24-25H,3,11H2,1-2H3,(H,36,41)(H,39,42);3-9,11-14,23-24H,2,10H2,1H3,(H2,35,40)(H,38,41);1H4/t25-,26+;2*24-,25-;23-,24+;/m0000./s1
InChIKeyQSJYYYAYMUFSDR-BLJQULEQSA-N
XLogP24.56
TPSA383.62 Ų
H-Bond Donors8
H-Bond Acceptors20
Rotatable Bonds38
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002402.26
LogP ≤ 524.56
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1020

Analyze 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[2-[(1S)-1-[[2-[5-(difluoromethyl)-3,4-diazatricyclo[6.1.1.02,6]deca-2(6),4-dien-3-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 71185372
(S)-3-(2-(2-(3,5-difluorophenyl)-1-(2-(3,4,5-trimethyl-1H-pyrazol-1-yl)acetamido)ethyl)pyridin-3-yl)benzamide
CID 71186781
3-[2-[2-(3,5-Difluorophenyl)-1-[[2-(3,4,5-trimethylpyrazol-1-yl)acetyl]amino]ethyl]-3-pyridinyl]benzamide
CID 71186783
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71186833
5-[2-[2-(3,5-Difluorophenyl)-1-[[2-[3,5-di(propan-2-yl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71186834
(S)-2-fluoro-5-(2-(2-(3-fluorophenyl)-1-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)ethyl)pyridin-3-yl)benzamide
CID 71186861
2-Fluoro-5-[2-[2-(3-fluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]ethyl]pyridin-3-yl]benzamide
CID 71186862
(S)-5-(2-(1-(2-(5-(difluoromethyl)-3-phenyl-1H-pyrazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)pyridin-3-yl)-2-fluorobenzamide
CID 71186947
5-[2-[1-[[2-[5-(Difluoromethyl)-3-phenylpyrazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]pyridin-3-yl]-2-fluorobenzamide
CID 71186948
(S)-5-(2-(1-(2-(3-(difluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)-2-(3,5-difluorophenyl)ethyl)pyridin-3-yl)-2-fluorobenzamide
CID 71187095
5-[2-[1-[[2-[3-(Difluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluorobenzamide
CID 71187096
(S)-3-(2-(2-(3,5-difluorophenyl)-1-(2-(3-(trifluoromethyl)-4,5,6,7-tetrahydro-1H-indazol-1-yl)acetamido)ethyl)pyridin-3-yl)-N-(2-(dimethylamino)ethyl)benzamide
CID 71187136

Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane?
The IUPAC name of 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane (CID 160505895) is 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane.
What is the SMILES notation for 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane?
The canonical SMILES for 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane is C.CC(C)C[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1ccc(C(F)(F)F)n1.CC[C@@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(F)(F)F)cn1.CC[C@H](C(=O)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(N)=O)c1)n1cc(C(F)(F)F)cn1.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)[C@@H](CC(C)C)n2ccc(C(F)(F)F)n2)ccc1F.
What is the InChIKey of 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane?
The InChIKey is QSJYYYAYMUFSDR-BLJQULEQSA-N. The full InChI is InChI=1S/C31H29F6N5O2.C30H27F6N5O2.C29H25F6N5O2.C28H23F6N5O2.CH4/c1-17(2)11-26(42-10-8-27(41-42)31(35,36)37)30(44)40-25(14-18-12-20(32)16-21(33)13-18)28-22(5-4-9-39-28)19-6-7-24(34)23(15-19)29(43)38-3;1-16(2)10-25(41-9-7-26(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)27-21(4-3-8-38-27)18-5-6-23(33)22(14-18)28(37)42;1-3-25(40-15-18(14-38-40)29(33,34)35)28(42)39-24(11-16-9-19(30)13-20(31)10-16)26-21(5-4-8-37-26)17-6-7-23(32)22(12-17)27(41)36-2;1-2-24(39-14-17(13-37-39)28(32,33)34)27(41)38-23(10-15-8-18(29)12-19(30)9-15)25-20(4-3-7-36-25)16-5-6-22(31)21(11-16)26(35)40;/h4-10,12-13,15-17,25-26H,11,14H2,1-3H3,(H,38,43)(H,40,44);3-9,11-12,14-16,24-25H,10,13H2,1-2H3,(H2,37,42)(H,39,43);4-10,12-15,24-25H,3,11H2,1-2H3,(H,36,41)(H,39,42);3-9,11-14,23-24H,2,10H2,1H3,(H2,35,40)(H,38,41);1H4/t25-,26+;2*24-,25-;23-,24+;/m0000./s1.
What are the key properties of 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane?
5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane has a molecular weight of 2402.26 g/mol, XLogP of 24.56, 38 rotatable bonds, 8 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-4-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]pentanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2R)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluorobenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[(2S)-2-[4-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;methane is sourced from PubChem (CID 160505895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).