5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one

C162H136ClF25N16O10 — CID 157125572

IUPAC5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
SMILESCCC(C(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(F)(F)F)cc1C1CC1.CCc1cccc2c(C(C)=O)cn(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(F)c(C(=O)NC)c3)c12.CN1Cc2cc(-c3cccnc3[C@@H](CC(=O)Cn3cc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)ccc2C1=O.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2cccc(Cl)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1cc(C(F)F)cc1C(F)F
InChIInChI=1S/C35H31F3N4O3.C34H27F8N3O2.C34H31F6N3O2.C30H23F6N3O.C29H24ClF2N3O2/c1-4-22-7-5-8-27-29(20(2)43)18-42(34(22)27)19-32(44)41-31(15-21-13-24(36)17-25(37)14-21)33-26(9-6-12-40-33)23-10-11-30(38)28(16-23)35(45)39-3;1-44-15-21-12-19(4-5-26(21)32(44)47)25-3-2-8-43-29(25)20(9-18-10-22(35)14-23(36)11-18)13-24(46)16-45-17-27(31(37)38)28-30(45)34(41,42)7-6-33(28,39)40;1-3-29(43-18-23(34(38,39)40)16-30(43)20-6-7-20)31(44)15-22(11-19-12-24(35)17-25(36)13-19)32-26(5-4-10-42-32)21-8-9-28(37)27(14-21)33(45)41-2;31-22-8-17(9-23(32)13-22)7-19(11-24(40)16-39-15-21(29(33)34)12-27(39)30(35)36)28-25(4-2-6-37-28)20-10-18-3-1-5-26(18)38-14-20;1-33-29(37)21-7-3-6-20(16-21)25-9-4-10-34-28(25)26(14-19-12-23(31)17-24(32)13-19)35-27(36)15-18-5-2-8-22(30)11-18/h5-14,16-18,31H,4,15,19H2,1-3H3,(H,39,45)(H,41,44);2-5,8,10-12,14,17,20,31H,6-7,9,13,15-16H2,1H3;4-5,8-10,12-14,16-18,20,22,29H,3,6-7,11,15H2,1-2H3,(H,41,45);1-4,6,8-10,12-15,19,29-30H,5,7,11,16H2;2-13,16-17,26H,14-15H2,1H3,(H,33,37)(H,35,36)/t31-;20-;22-,29?;19-;26-/m01110/s1
InChIKeyAILVJLQFVXKFLI-GMHQAAKRSA-N
MW2977.37 g/mol
LogP36.16
Rot. Bonds48

About 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one

5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one (PubChem CID 157125572) has the molecular formula C162H136ClF25N16O10 and a molecular weight of 2977.37 g/mol. Its IUPAC name is 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one.

Molecular Properties

Compound Name5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
PubChem CID157125572
Molecular FormulaC162H136ClF25N16O10
Molecular Weight2977.37 g/mol
Exact Mass2974.99
IUPAC Name5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one
SMILESCCC(C(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(F)(F)F)cc1C1CC1.CCc1cccc2c(C(C)=O)cn(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(F)c(C(=O)NC)c3)c12.CN1Cc2cc(-c3cccnc3[C@@H](CC(=O)Cn3cc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)ccc2C1=O.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2cccc(Cl)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1cc(C(F)F)cc1C(F)F
InChIInChI=1S/C35H31F3N4O3.C34H27F8N3O2.C34H31F6N3O2.C30H23F6N3O.C29H24ClF2N3O2/c1-4-22-7-5-8-27-29(20(2)43)18-42(34(22)27)19-32(44)41-31(15-21-13-24(36)17-25(37)14-21)33-26(9-6-12-40-33)23-10-11-30(38)28(16-23)35(45)39-3;1-44-15-21-12-19(4-5-26(21)32(44)47)25-3-2-8-43-29(25)20(9-18-10-22(35)14-23(36)11-18)13-24(46)16-45-17-27(31(37)38)28-30(45)34(41,42)7-6-33(28,39)40;1-3-29(43-18-23(34(38,39)40)16-30(43)20-6-7-20)31(44)15-22(11-19-12-24(35)17-25(36)13-19)32-26(5-4-10-42-32)21-8-9-28(37)27(14-21)33(45)41-2;31-22-8-17(9-23(32)13-22)7-19(11-24(40)16-39-15-21(29(33)34)12-27(39)30(35)36)28-25(4-2-6-37-28)20-10-18-3-1-5-26(18)38-14-20;1-33-29(37)21-7-3-6-20(16-21)25-9-4-10-34-28(25)26(14-19-12-23(31)17-24(32)13-19)35-27(36)15-18-5-2-8-22(30)11-18/h5-14,16-18,31H,4,15,19H2,1-3H3,(H,39,45)(H,41,44);2-5,8,10-12,14,17,20,31H,6-7,9,13,15-16H2,1H3;4-5,8-10,12-14,16-18,20,22,29H,3,6-7,11,15H2,1-2H3,(H,41,45);1-4,6,8-10,12-15,19,29-30H,5,7,11,16H2;2-13,16-17,26H,14-15H2,1H3,(H,33,37)(H,35,36)/t31-;20-;22-,29?;19-;26-/m01110/s1
InChIKeyAILVJLQFVXKFLI-GMHQAAKRSA-N
XLogP36.16
TPSA331.15 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds48
Heavy Atoms214
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002977.37
LogP ≤ 536.16
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Analyze 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one?
The IUPAC name of 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one (CID 157125572) is 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one.
What is the SMILES notation for 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one?
The canonical SMILES for 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one is CCC(C(=O)C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(F)c(C(=O)NC)c1)n1cc(C(F)(F)F)cc1C1CC1.CCc1cccc2c(C(C)=O)cn(CC(=O)N[C@@H](Cc3cc(F)cc(F)c3)c3ncccc3-c3ccc(F)c(C(=O)NC)c3)c12.CN1Cc2cc(-c3cccnc3[C@@H](CC(=O)Cn3cc(C(F)F)c4c3C(F)(F)CCC4(F)F)Cc3cc(F)cc(F)c3)ccc2C1=O.CNC(=O)c1cccc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cc2cccc(Cl)c2)c1.O=C(C[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1cnc2c(c1)C=CC2)Cn1cc(C(F)F)cc1C(F)F.
What is the InChIKey of 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one?
The InChIKey is AILVJLQFVXKFLI-GMHQAAKRSA-N. The full InChI is InChI=1S/C35H31F3N4O3.C34H27F8N3O2.C34H31F6N3O2.C30H23F6N3O.C29H24ClF2N3O2/c1-4-22-7-5-8-27-29(20(2)43)18-42(34(22)27)19-32(44)41-31(15-21-13-24(36)17-25(37)14-21)33-26(9-6-12-40-33)23-10-11-30(38)28(16-23)35(45)39-3;1-44-15-21-12-19(4-5-26(21)32(44)47)25-3-2-8-43-29(25)20(9-18-10-22(35)14-23(36)11-18)13-24(46)16-45-17-27(31(37)38)28-30(45)34(41,42)7-6-33(28,39)40;1-3-29(43-18-23(34(38,39)40)16-30(43)20-6-7-20)31(44)15-22(11-19-12-24(35)17-25(36)13-19)32-26(5-4-10-42-32)21-8-9-28(37)27(14-21)33(45)41-2;31-22-8-17(9-23(32)13-22)7-19(11-24(40)16-39-15-21(29(33)34)12-27(39)30(35)36)28-25(4-2-6-37-28)20-10-18-3-1-5-26(18)38-14-20;1-33-29(37)21-7-3-6-20(16-21)25-9-4-10-34-28(25)26(14-19-12-23(31)17-24(32)13-19)35-27(36)15-18-5-2-8-22(30)11-18/h5-14,16-18,31H,4,15,19H2,1-3H3,(H,39,45)(H,41,44);2-5,8,10-12,14,17,20,31H,6-7,9,13,15-16H2,1H3;4-5,8-10,12-14,16-18,20,22,29H,3,6-7,11,15H2,1-2H3,(H,41,45);1-4,6,8-10,12-15,19,29-30H,5,7,11,16H2;2-13,16-17,26H,14-15H2,1H3,(H,33,37)(H,35,36)/t31-;20-;22-,29?;19-;26-/m01110/s1.
What are the key properties of 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one?
5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one has a molecular weight of 2977.37 g/mol, XLogP of 36.16, 48 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-1-[[2-(3-acetyl-7-ethylindol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;(4R)-1-[2,4-bis(difluoromethyl)pyrrol-1-yl]-4-[3-(7H-cyclopenta[b]pyridin-3-yl)-2-pyridinyl]-5-(3,5-difluorophenyl)pentan-2-one;3-[2-[(1S)-1-[[2-(3-chlorophenyl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-N-methylbenzamide;5-[2-[(2R)-5-[2-cyclopropyl-4-(trifluoromethyl)pyrrol-1-yl]-1-(3,5-difluorophenyl)-4-oxoheptan-2-yl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(2R)-5-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindol-1-yl]-1-(3,5-difluorophenyl)-4-oxopentan-2-yl]-3-pyridinyl]-2-methyl-3H-isoindol-1-one is sourced from PubChem (CID 157125572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).