3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C154H132F15N19O10 — CID 158700751

IUPAC3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2(c3ccccc3)CC2)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cccc(C)c23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccccc23)c1.Cc1ccc(-c2nccnc2C(CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C32H28F2N4O2.C31H26F3N3O2.C31H26F2N4O2.C30H27F6N5O2.C30H25F2N3O2/c1-19-6-3-10-27-30(19)23(18-37-27)16-29(39)38-28(14-20-12-24(33)17-25(34)13-20)31-26(9-5-11-36-31)21-7-4-8-22(15-21)32(40)35-2;1-35-29(38)25-17-20(9-10-26(25)34)24-8-5-13-36-28(24)27(16-19-14-22(32)18-23(33)15-19)37-30(39)31(11-12-31)21-6-3-2-4-7-21;1-34-31(39)21-7-4-6-20(15-21)26-9-5-11-35-30(26)28(14-19-12-23(32)17-24(33)13-19)37-29(38)16-22-18-36-27-10-3-2-8-25(22)27;1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3;1-18-2-4-21(5-3-18)29-30(34-11-10-33-29)23(12-19-13-24(31)17-25(32)14-19)16-26(36)15-22-7-6-20-8-9-27(37)35-28(20)22/h3-13,15,17-18,28,37H,14,16H2,1-2H3,(H,35,40)(H,38,39);2-10,13-15,17-18,27H,11-12,16H2,1H3,(H,35,38)(H,37,39);2-13,15,17-18,28,36H,14,16H2,1H3,(H,34,39)(H,37,38);4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43);2-5,7-11,13-14,17,23H,6,12,15-16H2,1H3,(H,35,37)/t28-;27-;28-;24-,27?;/m0000./s1
InChIKeyIHNACPHFBUDRRU-OJOQSTFMSA-N
MW2693.84 g/mol
LogP28.76
Rot. Bonds41

About 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 158700751) has the molecular formula C154H132F15N19O10 and a molecular weight of 2693.84 g/mol. Its IUPAC name is 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID158700751
Molecular FormulaC154H132F15N19O10
Molecular Weight2693.84 g/mol
Exact Mass2692.02
IUPAC Name3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2(c3ccccc3)CC2)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cccc(C)c23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccccc23)c1.Cc1ccc(-c2nccnc2C(CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1
InChIInChI=1S/C32H28F2N4O2.C31H26F3N3O2.C31H26F2N4O2.C30H27F6N5O2.C30H25F2N3O2/c1-19-6-3-10-27-30(19)23(18-37-27)16-29(39)38-28(14-20-12-24(33)17-25(34)13-20)31-26(9-5-11-36-31)21-7-4-8-22(15-21)32(40)35-2;1-35-29(38)25-17-20(9-10-26(25)34)24-8-5-13-36-28(24)27(16-19-14-22(32)18-23(33)15-19)37-30(39)31(11-12-31)21-6-3-2-4-7-21;1-34-31(39)21-7-4-6-20(15-21)26-9-5-11-35-30(26)28(14-19-12-23(32)17-24(33)13-19)37-29(38)16-22-18-36-27-10-3-2-8-25(22)27;1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3;1-18-2-4-21(5-3-18)29-30(34-11-10-33-29)23(12-19-13-24(31)17-25(32)14-19)16-26(36)15-22-7-6-20-8-9-27(37)35-28(20)22/h3-13,15,17-18,28,37H,14,16H2,1-2H3,(H,35,40)(H,38,39);2-10,13-15,17-18,27H,11-12,16H2,1H3,(H,35,38)(H,37,39);2-13,15,17-18,28,36H,14,16H2,1H3,(H,34,39)(H,37,38);4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43);2-5,7-11,13-14,17,23H,6,12,15-16H2,1H3,(H,35,37)/t28-;27-;28-;24-,27?;/m0000./s1
InChIKeyIHNACPHFBUDRRU-OJOQSTFMSA-N
XLogP28.76
TPSA409.47 Ų
H-Bond Donors11
H-Bond Acceptors18
Rotatable Bonds41
Heavy Atoms198
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002693.84
LogP ≤ 528.76
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1018

Analyze 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Related Compounds

6-[2-[9-[6-[(6S,8R)-7-(2,2-difluoroethyl)-8-methyl-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-2-(2,6-dioxopiperidin-3-yl)-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923489
2-(2,6-dioxopiperidin-3-yl)-6-[2-[9-[6-[(6S,8R)-8-methyl-7-(2,2,2-trifluoroethyl)-3,6,8,9-tetrahydropyrazolo[4,5-f]isoquinolin-6-yl]-3-pyridinyl]-3,9-diazaspiro[5.5]undecan-3-yl]-2-oxoethyl]-5,7-dihydropyrrolo[3,4-f]isoindole-1,3-dione
CID 164923669
US12473304, Example 95
CID 156828907
US12473304, Example 96
CID 168765940
4-methyl-1-[2-oxo-2-[(2R)-2-(trifluoromethyl)pyrrolidin-1-yl]ethyl]-5-(1H-pyrazolo[3,4-c]pyridine-5-carbonyl)spiro[indole-3,4'-piperidine]-2-one
CID 130301946
tert-butyl 1-[2-[[(1S)-1-[3-(3-carbamoyl-4-fluorophenyl)-6-[4-[(2S)-2-[3-(3-carbamoylphenyl)pyridin-2-yl]-2-[[2-(2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-2,6-difluorophenyl]pyridin-2-yl]-2-(3,5-difluorophenyl)ethyl]amino]-2-oxoethyl]-3-(trifluoromethyl)-5,6-dihydropyrrolo[3,2-c]pyrazole-4-carboxylate
CID 135215882
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
N-[5-[3-[4-(4-fluorophenyl)-1H-indol-2-yl]-7-[2-fluoro-5-[2-[5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-indol-4-yl]phenyl]-1H-pyrazolo[3,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 137102862
2-[(4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]ethyl]acetamide
CID 142466454
4-anilino-N-cyclopropyl-6-[4-[4-[4-[1-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-4-yl]amino]ethyl]triazol-1-yl]butylcarbamoyl]-3-fluorophenyl]-7-(trifluoromethyl)quinoline-3-carboxamide
CID 153543227
2-[(2S,4R)-9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]ethyl]acetamide
CID 154628911
2-[(3R)-9-(difluoromethyl)-5,5-difluoro-3-methyl-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]-N-[2-(3,5-difluorophenyl)-1-[6-(3-oxo-1,2-dihydroisoindol-5-yl)-1H-pyrrolo[3,2-b]pyridin-5-yl]ethyl]acetamide
CID 156181118

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 158700751) is 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C(C(C)C)n2ccc(C(F)(F)F)n2)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)C2(c3ccccc3)CC2)ccc1F.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3cccc(C)c23)c1.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2c[nH]c3ccccc23)c1.Cc1ccc(-c2nccnc2C(CC(=O)CC2=CCc3ccc(=O)[nH]c32)Cc2cc(F)cc(F)c2)cc1.
What is the InChIKey of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is IHNACPHFBUDRRU-OJOQSTFMSA-N. The full InChI is InChI=1S/C32H28F2N4O2.C31H26F3N3O2.C31H26F2N4O2.C30H27F6N5O2.C30H25F2N3O2/c1-19-6-3-10-27-30(19)23(18-37-27)16-29(39)38-28(14-20-12-24(33)17-25(34)13-20)31-26(9-5-11-36-31)21-7-4-8-22(15-21)32(40)35-2;1-35-29(38)25-17-20(9-10-26(25)34)24-8-5-13-36-28(24)27(16-19-14-22(32)18-23(33)15-19)37-30(39)31(11-12-31)21-6-3-2-4-7-21;1-34-31(39)21-7-4-6-20(15-21)26-9-5-11-35-30(26)28(14-19-12-23(32)17-24(33)13-19)37-29(38)16-22-18-36-27-10-3-2-8-25(22)27;1-16(2)27(41-10-8-25(40-41)30(34,35)36)29(43)39-24(13-17-11-19(31)15-20(32)12-17)26-21(5-4-9-38-26)18-6-7-23(33)22(14-18)28(42)37-3;1-18-2-4-21(5-3-18)29-30(34-11-10-33-29)23(12-19-13-24(31)17-25(32)14-19)16-26(36)15-22-7-6-20-8-9-27(37)35-28(20)22/h3-13,15,17-18,28,37H,14,16H2,1-2H3,(H,35,40)(H,38,39);2-10,13-15,17-18,27H,11-12,16H2,1H3,(H,35,38)(H,37,39);2-13,15,17-18,28,36H,14,16H2,1H3,(H,34,39)(H,37,38);4-12,14-16,24,27H,13H2,1-3H3,(H,37,42)(H,39,43);2-5,7-11,13-14,17,23H,6,12,15-16H2,1H3,(H,35,37)/t28-;27-;28-;24-,27?;/m0000./s1.
What are the key properties of 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2693.84 g/mol, XLogP of 28.76, 41 rotatable bonds, 11 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;3-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(4-methyl-1H-indol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-N-methylbenzamide;7-[5-(3,5-difluorophenyl)-4-[3-(4-methylphenyl)pyrazin-2-yl]-2-oxopentyl]-1,5-dihydrocyclopenta[b]pyridin-2-one;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[3-methyl-2-[3-(trifluoromethyl)pyrazol-1-yl]butanoyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[(1-phenylcyclopropanecarbonyl)amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 158700751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).