5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

C151H132F24N28O12 — CID 157488589

IUPAC5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C#N)c3c2CCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2CC(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2COC)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(N)=O)c3c2CC2CC32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc3c(c2C(F)(F)F)CN(C)C3)ccc1F
InChIInChI=1S/C31H29F6N5O2.C31H27F3N6O3.C30H26F6N6O2.C30H25F3N6O2.C29H25F6N5O3/c1-17(2)9-22-15-27(31(35,36)37)41-42(22)16-28(43)40-26(12-18-10-20(32)14-21(33)11-18)29-23(5-4-8-39-29)19-6-7-25(34)24(13-19)30(44)38-3;1-36-31(43)22-10-16(4-5-23(22)34)20-3-2-6-37-28(20)24(9-15-7-18(32)13-19(33)8-15)38-26(41)14-40-25-12-17-11-21(17)27(25)29(39-40)30(35)42;1-37-29(44)21-11-17(5-6-23(21)33)20-4-3-7-38-27(20)24(10-16-8-18(31)12-19(32)9-16)39-26(43)15-42-28(30(34,35)36)22-13-41(2)14-25(22)40-42;1-35-30(41)23-13-18(7-8-24(23)33)21-5-3-9-36-29(21)25(12-17-10-19(31)14-20(32)11-17)37-28(40)16-39-27-6-2-4-22(27)26(15-34)38-39;1-36-28(42)22-11-17(5-6-23(22)32)21-4-3-7-37-27(21)24(10-16-8-18(30)12-19(31)9-16)38-26(41)14-40-20(15-43-2)13-25(39-40)29(33,34)35/h4-8,10-11,13-15,17,26H,9,12,16H2,1-3H3,(H,38,44)(H,40,43);2-8,10,13,17,21,24H,9,11-12,14H2,1H3,(H2,35,42)(H,36,43)(H,38,41);3-9,11-12,24H,10,13-15H2,1-2H3,(H,37,44)(H,39,43);3,5,7-11,13-14,25H,2,4,6,12,16H2,1H3,(H,35,41)(H,37,40);3-9,11-13,24H,10,14-15H2,1-2H3,(H,36,42)(H,38,41)/t26-;17?,21?,24-;24-;25-;24-/m00000/s1
InChIKeyBWZSWHZUIPXTSP-QNWMTMEKSA-N
MW2986.85 g/mol
LogP23.58
Rot. Bonds45

About 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide

5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (PubChem CID 157488589) has the molecular formula C151H132F24N28O12 and a molecular weight of 2986.85 g/mol. Its IUPAC name is 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
PubChem CID157488589
Molecular FormulaC151H132F24N28O12
Molecular Weight2986.85 g/mol
Exact Mass2985.02
IUPAC Name5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C#N)c3c2CCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2CC(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2COC)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(N)=O)c3c2CC2CC32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc3c(c2C(F)(F)F)CN(C)C3)ccc1F
InChIInChI=1S/C31H29F6N5O2.C31H27F3N6O3.C30H26F6N6O2.C30H25F3N6O2.C29H25F6N5O3/c1-17(2)9-22-15-27(31(35,36)37)41-42(22)16-28(43)40-26(12-18-10-20(32)14-21(33)11-18)29-23(5-4-8-39-29)19-6-7-25(34)24(13-19)30(44)38-3;1-36-31(43)22-10-16(4-5-23(22)34)20-3-2-6-37-28(20)24(9-15-7-18(32)13-19(33)8-15)38-26(41)14-40-25-12-17-11-21(17)27(25)29(39-40)30(35)42;1-37-29(44)21-11-17(5-6-23(21)33)20-4-3-7-38-27(20)24(10-16-8-18(31)12-19(32)9-16)39-26(43)15-42-28(30(34,35)36)22-13-41(2)14-25(22)40-42;1-35-30(41)23-13-18(7-8-24(23)33)21-5-3-9-36-29(21)25(12-17-10-19(31)14-20(32)11-17)37-28(40)16-39-27-6-2-4-22(27)26(15-34)38-39;1-36-28(42)22-11-17(5-6-23(22)32)21-4-3-7-37-27(21)24(10-16-8-18(30)12-19(31)9-16)38-26(41)14-40-20(15-43-2)13-25(39-40)29(33,34)35/h4-8,10-11,13-15,17,26H,9,12,16H2,1-3H3,(H,38,44)(H,40,43);2-8,10,13,17,21,24H,9,11-12,14H2,1H3,(H2,35,42)(H,36,43)(H,38,41);3-9,11-12,24H,10,13-15H2,1-2H3,(H,37,44)(H,39,43);3,5,7-11,13-14,25H,2,4,6,12,16H2,1H3,(H,35,41)(H,37,40);3-9,11-13,24H,10,14-15H2,1-2H3,(H,36,42)(H,38,41)/t26-;17?,21?,24-;24-;25-;24-/m00000/s1
InChIKeyBWZSWHZUIPXTSP-QNWMTMEKSA-N
XLogP23.58
TPSA523.90 Ų
H-Bond Donors11
H-Bond Acceptors29
Rotatable Bonds45
Heavy Atoms215
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002986.85
LogP ≤ 523.58
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1029

Analyze 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide (CID 157488589) is 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C#N)c3c2CCC3)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2CC(C)C)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(F)(F)F)cc2COC)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc(C(N)=O)c3c2CC2CC32)ccc1F.CNC(=O)c1cc(-c2cccnc2[C@H](Cc2cc(F)cc(F)c2)NC(=O)Cn2nc3c(c2C(F)(F)F)CN(C)C3)ccc1F.
What is the InChIKey of 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
The InChIKey is BWZSWHZUIPXTSP-QNWMTMEKSA-N. The full InChI is InChI=1S/C31H29F6N5O2.C31H27F3N6O3.C30H26F6N6O2.C30H25F3N6O2.C29H25F6N5O3/c1-17(2)9-22-15-27(31(35,36)37)41-42(22)16-28(43)40-26(12-18-10-20(32)14-21(33)11-18)29-23(5-4-8-39-29)19-6-7-25(34)24(13-19)30(44)38-3;1-36-31(43)22-10-16(4-5-23(22)34)20-3-2-6-37-28(20)24(9-15-7-18(32)13-19(33)8-15)38-26(41)14-40-25-12-17-11-21(17)27(25)29(39-40)30(35)42;1-37-29(44)21-11-17(5-6-23(21)33)20-4-3-7-38-27(20)24(10-16-8-18(31)12-19(32)9-16)39-26(43)15-42-28(30(34,35)36)22-13-41(2)14-25(22)40-42;1-35-30(41)23-13-18(7-8-24(23)33)21-5-3-9-36-29(21)25(12-17-10-19(31)14-20(32)11-17)37-28(40)16-39-27-6-2-4-22(27)26(15-34)38-39;1-36-28(42)22-11-17(5-6-23(22)32)21-4-3-7-37-27(21)24(10-16-8-18(30)12-19(31)9-16)38-26(41)14-40-20(15-43-2)13-25(39-40)29(33,34)35/h4-8,10-11,13-15,17,26H,9,12,16H2,1-3H3,(H,38,44)(H,40,43);2-8,10,13,17,21,24H,9,11-12,14H2,1H3,(H2,35,42)(H,36,43)(H,38,41);3-9,11-12,24H,10,13-15H2,1-2H3,(H,37,44)(H,39,43);3,5,7-11,13-14,25H,2,4,6,12,16H2,1H3,(H,35,41)(H,37,40);3-9,11-13,24H,10,14-15H2,1-2H3,(H,36,42)(H,38,41)/t26-;17?,21?,24-;24-;25-;24-/m00000/s1.
What are the key properties of 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide?
5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide has a molecular weight of 2986.85 g/mol, XLogP of 23.58, 45 rotatable bonds, 11 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[(1S)-1-[[2-(3-cyano-5,6-dihydro-4H-cyclopenta[d]pyrazol-1-yl)acetyl]amino]-2-(3,5-difluorophenyl)ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;7-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-7,8-diazatricyclo[4.3.0.02,4]nona-1(6),8-diene-9-carboxamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(methoxymethyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-(2-methylpropyl)-3-(trifluoromethyl)pyrazol-1-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-[5-methyl-3-(trifluoromethyl)-4,6-dihydropyrrolo[3,4-c]pyrazol-2-yl]acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 157488589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).