N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide

C166H160ClF15N30O30 — CID 158769560

IUPACN-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCC(=O)NCc2ccc3c(c2)OCO3)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCCC(=O)NCc2ccc(Cl)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@@H](CO)C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C35H35F3N6O6.C34H32ClF3N6O5.2C34H31F3N6O7.C29H31F3N6O5/c1-42(2)33(48)22-9-11-23(12-10-22)43-18-16-25-29(34(43)49)44(41-30(25)35(36,37)38)28-14-13-24(50-3)19-26(28)31(46)40-27(20-45)32(47)39-17-15-21-7-5-4-6-8-21;1-42(2)32(47)21-6-10-23(11-7-21)43-17-15-25-29(33(43)48)44(41-30(25)34(36,37)38)27-13-12-24(49-3)18-26(27)31(46)39-16-14-28(45)40-19-20-4-8-22(35)9-5-20;1-18(30(44)39-20-7-12-26-27(15-20)50-17-49-26)38-31(45)24-16-22(48-4)10-11-25(24)43-28-23(29(40-43)34(35,36)37)13-14-42(33(28)47)21-8-5-19(6-9-21)32(46)41(2)3;1-41(2)32(46)20-5-7-21(8-6-20)42-13-12-23-29(33(42)47)43(40-30(23)34(35,36)37)25-10-9-22(48-3)15-24(25)31(45)39-17-28(44)38-16-19-4-11-26-27(14-19)50-18-49-26;1-5-13-33-23(39)16-34-26(40)21-15-19(43-4)10-11-22(21)38-24-20(25(35-38)29(30,31)32)12-14-37(28(24)42)18-8-6-17(7-9-18)27(41)36(2)3/h4-14,19,27,45H,15-18,20H2,1-3H3,(H,39,47)(H,40,46);4-13,18H,14-17,19H2,1-3H3,(H,39,46)(H,40,45);5-12,15-16,18H,13-14,17H2,1-4H3,(H,38,45)(H,39,44);4-11,14-15H,12-13,16-18H2,1-3H3,(H,38,44)(H,39,45);6-11,15H,5,12-14,16H2,1-4H3,(H,33,39)(H,34,40)/t27-;;18-;;/m0.0../s1
InChIKeyIPRRINBAIPSIFL-RNBBADDTSA-N
MW3375.71 g/mol
LogP19.08
Rot. Bonds47

About N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide

N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide (PubChem CID 158769560) has the molecular formula C166H160ClF15N30O30 and a molecular weight of 3375.71 g/mol. Its IUPAC name is N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide.

Molecular Properties

Compound NameN-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
PubChem CID158769560
Molecular FormulaC166H160ClF15N30O30
Molecular Weight3375.71 g/mol
Exact Mass3373.14
IUPAC NameN-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide
SMILESCCCNC(=O)CNC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCC(=O)NCc2ccc3c(c2)OCO3)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCCC(=O)NCc2ccc(Cl)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@@H](CO)C(=O)NCCc2ccccc2)c1
InChIInChI=1S/C35H35F3N6O6.C34H32ClF3N6O5.2C34H31F3N6O7.C29H31F3N6O5/c1-42(2)33(48)22-9-11-23(12-10-22)43-18-16-25-29(34(43)49)44(41-30(25)35(36,37)38)28-14-13-24(50-3)19-26(28)31(46)40-27(20-45)32(47)39-17-15-21-7-5-4-6-8-21;1-42(2)32(47)21-6-10-23(11-7-21)43-17-15-25-29(33(43)48)44(41-30(25)34(36,37)38)27-13-12-24(49-3)18-26(27)31(46)39-16-14-28(45)40-19-20-4-8-22(35)9-5-20;1-18(30(44)39-20-7-12-26-27(15-20)50-17-49-26)38-31(45)24-16-22(48-4)10-11-25(24)43-28-23(29(40-43)34(35,36)37)13-14-42(33(28)47)21-8-5-19(6-9-21)32(46)41(2)3;1-41(2)32(46)20-5-7-21(8-6-20)42-13-12-23-29(33(42)47)43(40-30(23)34(35,36)37)25-10-9-22(48-3)15-24(25)31(45)39-17-28(44)38-16-19-4-11-26-27(14-19)50-18-49-26;1-5-13-33-23(39)16-34-26(40)21-15-19(43-4)10-11-22(21)38-24-20(25(35-38)29(30,31)32)12-14-37(28(24)42)18-8-6-17(7-9-18)27(41)36(2)3/h4-14,19,27,45H,15-18,20H2,1-3H3,(H,39,47)(H,40,46);4-13,18H,14-17,19H2,1-3H3,(H,39,46)(H,40,45);5-12,15-16,18H,13-14,17H2,1-4H3,(H,38,45)(H,39,44);4-11,14-15H,12-13,16-18H2,1-3H3,(H,38,44)(H,39,45);6-11,15H,5,12-14,16H2,1-4H3,(H,33,39)(H,34,40)/t27-;;18-;;/m0.0../s1
InChIKeyIPRRINBAIPSIFL-RNBBADDTSA-N
XLogP19.08
TPSA686.50 Ų
H-Bond Donors11
H-Bond Acceptors40
Rotatable Bonds47
Heavy Atoms242
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003375.71
LogP ≤ 519.08
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1040

Analyze N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The IUPAC name of N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide (CID 158769560) is N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide.
What is the SMILES notation for N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The canonical SMILES for N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide is CCCNC(=O)CNC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCC(=O)NCc2ccc3c(c2)OCO3)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCCC(=O)NCc2ccc(Cl)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@@H](C)C(=O)Nc2ccc3c(c2)OCO3)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@@H](CO)C(=O)NCCc2ccccc2)c1.
What is the InChIKey of N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
The InChIKey is IPRRINBAIPSIFL-RNBBADDTSA-N. The full InChI is InChI=1S/C35H35F3N6O6.C34H32ClF3N6O5.2C34H31F3N6O7.C29H31F3N6O5/c1-42(2)33(48)22-9-11-23(12-10-22)43-18-16-25-29(34(43)49)44(41-30(25)35(36,37)38)28-14-13-24(50-3)19-26(28)31(46)40-27(20-45)32(47)39-17-15-21-7-5-4-6-8-21;1-42(2)32(47)21-6-10-23(11-7-21)43-17-15-25-29(33(43)48)44(41-30(25)34(36,37)38)27-13-12-24(49-3)18-26(27)31(46)39-16-14-28(45)40-19-20-4-8-22(35)9-5-20;1-18(30(44)39-20-7-12-26-27(15-20)50-17-49-26)38-31(45)24-16-22(48-4)10-11-25(24)43-28-23(29(40-43)34(35,36)37)13-14-42(33(28)47)21-8-5-19(6-9-21)32(46)41(2)3;1-41(2)32(46)20-5-7-21(8-6-20)42-13-12-23-29(33(42)47)43(40-30(23)34(35,36)37)25-10-9-22(48-3)15-24(25)31(45)39-17-28(44)38-16-19-4-11-26-27(14-19)50-18-49-26;1-5-13-33-23(39)16-34-26(40)21-15-19(43-4)10-11-22(21)38-24-20(25(35-38)29(30,31)32)12-14-37(28(24)42)18-8-6-17(7-9-18)27(41)36(2)3/h4-14,19,27,45H,15-18,20H2,1-3H3,(H,39,47)(H,40,46);4-13,18H,14-17,19H2,1-3H3,(H,39,46)(H,40,45);5-12,15-16,18H,13-14,17H2,1-4H3,(H,38,45)(H,39,44);4-11,14-15H,12-13,16-18H2,1-3H3,(H,38,44)(H,39,45);6-11,15H,5,12-14,16H2,1-4H3,(H,33,39)(H,34,40)/t27-;;18-;;/m0.0../s1.
What are the key properties of N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide?
N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide has a molecular weight of 3375.71 g/mol, XLogP of 19.08, 47 rotatable bonds, 11 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[3-[(4-chlorophenyl)methylamino]-3-oxopropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-[(2S)-3-hydroxy-1-oxo-1-(2-phenylethylamino)propan-2-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[2-oxo-2-(propylamino)ethyl]benzamide is sourced from PubChem (CID 158769560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).