N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C157H133F23N22O16S — CID 158892425

IUPACN-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3c(C)cc(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3ccc(OC)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc3c(c2C(F)(F)F)COC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cccc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCS(=O)(=O)C3)ccc1F.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(OCC2CC2)cc1
InChIInChI=1S/C33H28F6N4O2.C33H29F3N4O3.C32H27F3N4O4.C30H26F5N5O4S.C29H23F6N5O3/c34-20-10-18(11-21(35)13-20)12-26(29-23(2-1-9-40-29)19-5-7-22(8-6-19)45-16-17-3-4-17)41-27(44)15-43-31-28(30(42-43)32(36)37)24-14-25(24)33(31,38)39;1-17-9-18(2)30-24(10-17)25(33(43)40-30)16-29(41)39-28(13-19-11-21(34)15-22(35)12-19)31-23(5-4-8-38-31)20-6-7-27(36)26(14-20)32(42)37-3;1-36-31(41)25-13-18(5-7-26(25)35)22-4-3-9-37-30(22)28(12-17-10-19(33)14-20(34)11-17)38-29(40)16-24-23-15-21(43-2)6-8-27(23)39-32(24)42;1-36-29(42)21-14-18(7-8-23(21)32)20-6-3-10-37-27(20)24(13-17-4-2-5-19(31)12-17)38-26(41)15-40-25-9-11-45(43,44)16-22(25)28(39-40)30(33,34)35;1-36-28(42)20-10-16(4-5-22(20)32)19-3-2-6-37-26(19)23(9-15-7-17(30)11-18(31)8-15)38-25(41)12-40-27(29(33,34)35)21-13-43-14-24(21)39-40/h1-2,5-11,13,17,24-26,32H,3-4,12,14-16H2,(H,41,44);4-12,14-15,25,28H,13,16H2,1-3H3,(H,37,42)(H,39,41)(H,40,43);3-11,13-15,24,28H,12,16H2,1-2H3,(H,36,41)(H,38,40)(H,39,42);2-8,10,12,14,24H,9,11,13,15-16H2,1H3,(H,36,42)(H,38,41);2-8,10-11,23H,9,12-14H2,1H3,(H,36,42)(H,38,41)/t24?,25?,26-;25?,28-;24?,28-;24-;23-/m00000/s1
InChIKeyJEKFHVALMJVHFU-CGEBDMEYSA-N
MW3052.95 g/mol
LogP27.03
Rot. Bonds44

About N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 158892425) has the molecular formula C157H133F23N22O16S and a molecular weight of 3052.95 g/mol. Its IUPAC name is N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound NameN-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID158892425
Molecular FormulaC157H133F23N22O16S
Molecular Weight3052.95 g/mol
Exact Mass3050.96
IUPAC NameN-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3c(C)cc(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3ccc(OC)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc3c(c2C(F)(F)F)COC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cccc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCS(=O)(=O)C3)ccc1F.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(OCC2CC2)cc1
InChIInChI=1S/C33H28F6N4O2.C33H29F3N4O3.C32H27F3N4O4.C30H26F5N5O4S.C29H23F6N5O3/c34-20-10-18(11-21(35)13-20)12-26(29-23(2-1-9-40-29)19-5-7-22(8-6-19)45-16-17-3-4-17)41-27(44)15-43-31-28(30(42-43)32(36)37)24-14-25(24)33(31,38)39;1-17-9-18(2)30-24(10-17)25(33(43)40-30)16-29(41)39-28(13-19-11-21(34)15-22(35)12-19)31-23(5-4-8-38-31)20-6-7-27(36)26(14-20)32(42)37-3;1-36-31(41)25-13-18(5-7-26(25)35)22-4-3-9-37-30(22)28(12-17-10-19(33)14-20(34)11-17)38-29(40)16-24-23-15-21(43-2)6-8-27(23)39-32(24)42;1-36-29(42)21-14-18(7-8-23(21)32)20-6-3-10-37-27(20)24(13-17-4-2-5-19(31)12-17)38-26(41)15-40-25-9-11-45(43,44)16-22(25)28(39-40)30(33,34)35;1-36-28(42)20-10-16(4-5-22(20)32)19-3-2-6-37-26(19)23(9-15-7-17(30)11-18(31)8-15)38-25(41)12-40-27(29(33,34)35)21-13-43-14-24(21)39-40/h1-2,5-11,13,17,24-26,32H,3-4,12,14-16H2,(H,41,44);4-12,14-15,25,28H,13,16H2,1-3H3,(H,37,42)(H,39,41)(H,40,43);3-11,13-15,24,28H,12,16H2,1-2H3,(H,36,41)(H,38,40)(H,39,42);2-8,10,12,14,24H,9,11,13,15-16H2,1H3,(H,36,42)(H,38,41);2-8,10-11,23H,9,12-14H2,1H3,(H,36,42)(H,38,41)/t24?,25?,26-;25?,28-;24?,28-;24-;23-/m00000/s1
InChIKeyJEKFHVALMJVHFU-CGEBDMEYSA-N
XLogP27.03
TPSA499.84 Ų
H-Bond Donors11
H-Bond Acceptors27
Rotatable Bonds44
Heavy Atoms219
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003052.95
LogP ≤ 527.03
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1027

Analyze N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 158892425) is N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3c(C)cc(C)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)CC2C(=O)Nc3ccc(OC)cc32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc3c(c2C(F)(F)F)COC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cccc(F)c2)NC(=O)Cn2nc(C(F)(F)F)c3c2CCS(=O)(=O)C3)ccc1F.O=C(Cn1nc(C(F)F)c2c1C(F)(F)C1CC21)N[C@@H](Cc1cc(F)cc(F)c1)c1ncccc1-c1ccc(OCC2CC2)cc1.
What is the InChIKey of N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is JEKFHVALMJVHFU-CGEBDMEYSA-N. The full InChI is InChI=1S/C33H28F6N4O2.C33H29F3N4O3.C32H27F3N4O4.C30H26F5N5O4S.C29H23F6N5O3/c34-20-10-18(11-21(35)13-20)12-26(29-23(2-1-9-40-29)19-5-7-22(8-6-19)45-16-17-3-4-17)41-27(44)15-43-31-28(30(42-43)32(36)37)24-14-25(24)33(31,38)39;1-17-9-18(2)30-24(10-17)25(33(43)40-30)16-29(41)39-28(13-19-11-21(34)15-22(35)12-19)31-23(5-4-8-38-31)20-6-7-27(36)26(14-20)32(42)37-3;1-36-31(41)25-13-18(5-7-26(25)35)22-4-3-9-37-30(22)28(12-17-10-19(33)14-20(34)11-17)38-29(40)16-24-23-15-21(43-2)6-8-27(23)39-32(24)42;1-36-29(42)21-14-18(7-8-23(21)32)20-6-3-10-37-27(20)24(13-17-4-2-5-19(31)12-17)38-26(41)15-40-25-9-11-45(43,44)16-22(25)28(39-40)30(33,34)35;1-36-28(42)20-10-16(4-5-22(20)32)19-3-2-6-37-26(19)23(9-15-7-17(30)11-18(31)8-15)38-25(41)12-40-27(29(33,34)35)21-13-43-14-24(21)39-40/h1-2,5-11,13,17,24-26,32H,3-4,12,14-16H2,(H,41,44);4-12,14-15,25,28H,13,16H2,1-3H3,(H,37,42)(H,39,41)(H,40,43);3-11,13-15,24,28H,12,16H2,1-2H3,(H,36,41)(H,38,40)(H,39,42);2-8,10,12,14,24H,9,11,13,15-16H2,1H3,(H,36,42)(H,38,41);2-8,10-11,23H,9,12-14H2,1H3,(H,36,42)(H,38,41)/t24?,25?,26-;25?,28-;24?,28-;24-;23-/m00000/s1.
What are the key properties of N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 3052.95 g/mol, XLogP of 27.03, 44 rotatable bonds, 11 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-[3-[4-(cyclopropylmethoxy)phenyl]-2-pyridinyl]-2-(3,5-difluorophenyl)ethyl]-2-[9-(difluoromethyl)-5,5-difluoro-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-dien-7-yl]acetamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5,7-dimethyl-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(5-methoxy-2-oxo-1,3-dihydroindol-3-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[3-(trifluoromethyl)-4,6-dihydrofuro[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-1-[[2-[5,5-dioxo-3-(trifluoromethyl)-6,7-dihydro-4H-thiopyrano[4,3-c]pyrazol-1-yl]acetyl]amino]-2-(3-fluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 158892425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).