N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide

C168H147F15N26O25S5 — CID 157107375

IUPACN-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(C)Cc2ncc[nH]2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCN(C)C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCNc2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCc2ccccn2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C36H32F3N5O5S.C34H28F3N5O5S.C33H29F3N6O5S.C33H26F3N5O5S.C32H32F3N5O5S/c1-49-26-16-17-30(29(22-26)34(45)41-20-19-40-24-8-4-3-5-9-24)44-32-28(33(42-44)36(37,38)39)18-21-43(35(32)46)25-14-12-23(13-15-25)27-10-6-7-11-31(27)50(2,47)48;1-47-24-14-15-28(27(19-24)32(43)39-20-22-7-5-6-17-38-22)42-30-26(31(40-42)34(35,36)37)16-18-41(33(30)44)23-12-10-21(11-13-23)25-8-3-4-9-29(25)48(2,45)46;1-40(19-28-37-15-16-38-28)31(43)25-18-22(47-2)12-13-26(25)42-29-24(30(39-42)33(34,35)36)14-17-41(32(29)44)21-10-8-20(9-11-21)23-6-4-5-7-27(23)48(3,45)46;1-46-23-13-14-27(26(18-23)31(42)38-21-6-5-16-37-19-21)41-29-25(30(39-41)33(34,35)36)15-17-40(32(29)43)22-11-9-20(10-12-22)24-7-3-4-8-28(24)47(2,44)45;1-38(2)18-16-36-30(41)25-19-22(45-3)13-14-26(25)40-28-24(29(37-40)32(33,34)35)15-17-39(31(28)42)21-11-9-20(10-12-21)23-7-5-6-8-27(23)46(4,43)44/h3-17,22,40H,18-21H2,1-2H3,(H,41,45);3-15,17,19H,16,18,20H2,1-2H3,(H,39,43);4-13,15-16,18H,14,17,19H2,1-3H3,(H,37,38);3-14,16,18-19H,15,17H2,1-2H3,(H,38,42);5-14,19H,15-18H2,1-4H3,(H,36,41)
InChIKeyAGLKRBLXHMVDPV-UHFFFAOYSA-N
MW3375.49 g/mol
LogP26.97
Rot. Bonds42

About N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide

N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide (PubChem CID 157107375) has the molecular formula C168H147F15N26O25S5 and a molecular weight of 3375.49 g/mol. Its IUPAC name is N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide
PubChem CID157107375
Molecular FormulaC168H147F15N26O25S5
Molecular Weight3375.49 g/mol
Exact Mass3372.94
IUPAC NameN-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(C)Cc2ncc[nH]2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCN(C)C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCNc2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCc2ccccn2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)Nc2cccnc2)c1
InChIInChI=1S/C36H32F3N5O5S.C34H28F3N5O5S.C33H29F3N6O5S.C33H26F3N5O5S.C32H32F3N5O5S/c1-49-26-16-17-30(29(22-26)34(45)41-20-19-40-24-8-4-3-5-9-24)44-32-28(33(42-44)36(37,38)39)18-21-43(35(32)46)25-14-12-23(13-15-25)27-10-6-7-11-31(27)50(2,47)48;1-47-24-14-15-28(27(19-24)32(43)39-20-22-7-5-6-17-38-22)42-30-26(31(40-42)34(35,36)37)16-18-41(33(30)44)23-12-10-21(11-13-23)25-8-3-4-9-29(25)48(2,45)46;1-40(19-28-37-15-16-38-28)31(43)25-18-22(47-2)12-13-26(25)42-29-24(30(39-42)33(34,35)36)14-17-41(32(29)44)21-10-8-20(9-11-21)23-6-4-5-7-27(23)48(3,45)46;1-46-23-13-14-27(26(18-23)31(42)38-21-6-5-16-37-19-21)41-29-25(30(39-41)33(34,35)36)15-17-40(32(29)43)22-11-9-20(10-12-22)24-7-3-4-8-28(24)47(2,44)45;1-38(2)18-16-36-30(41)25-19-22(45-3)13-14-26(25)40-28-24(29(37-40)32(33,34)35)15-17-39(31(28)42)21-11-9-20(10-12-21)23-7-5-6-8-27(23)46(4,43)44/h3-17,22,40H,18-21H2,1-2H3,(H,41,45);3-15,17,19H,16,18,20H2,1-2H3,(H,39,43);4-13,15-16,18H,14,17,19H2,1-3H3,(H,37,38);3-14,16,18-19H,15,17H2,1-2H3,(H,38,42);5-14,19H,15-18H2,1-4H3,(H,36,41)
InChIKeyAGLKRBLXHMVDPV-UHFFFAOYSA-N
XLogP26.97
TPSA613.94 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds42
Heavy Atoms239
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003375.49
LogP ≤ 526.97
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
The IUPAC name of N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide (CID 157107375) is N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide.
What is the SMILES notation for N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
The canonical SMILES for N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(C)Cc2ncc[nH]2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCN(C)C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCNc2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCc2ccccn2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)Nc2cccnc2)c1.
What is the InChIKey of N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
The InChIKey is AGLKRBLXHMVDPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H32F3N5O5S.C34H28F3N5O5S.C33H29F3N6O5S.C33H26F3N5O5S.C32H32F3N5O5S/c1-49-26-16-17-30(29(22-26)34(45)41-20-19-40-24-8-4-3-5-9-24)44-32-28(33(42-44)36(37,38)39)18-21-43(35(32)46)25-14-12-23(13-15-25)27-10-6-7-11-31(27)50(2,47)48;1-47-24-14-15-28(27(19-24)32(43)39-20-22-7-5-6-17-38-22)42-30-26(31(40-42)34(35,36)37)16-18-41(33(30)44)23-12-10-21(11-13-23)25-8-3-4-9-29(25)48(2,45)46;1-40(19-28-37-15-16-38-28)31(43)25-18-22(47-2)12-13-26(25)42-29-24(30(39-42)33(34,35)36)14-17-41(32(29)44)21-10-8-20(9-11-21)23-6-4-5-7-27(23)48(3,45)46;1-46-23-13-14-27(26(18-23)31(42)38-21-6-5-16-37-19-21)41-29-25(30(39-41)33(34,35)36)15-17-40(32(29)43)22-11-9-20(10-12-22)24-7-3-4-8-28(24)47(2,44)45;1-38(2)18-16-36-30(41)25-19-22(45-3)13-14-26(25)40-28-24(29(37-40)32(33,34)35)15-17-39(31(28)42)21-11-9-20(10-12-21)23-7-5-6-8-27(23)46(4,43)44/h3-17,22,40H,18-21H2,1-2H3,(H,41,45);3-15,17,19H,16,18,20H2,1-2H3,(H,39,43);4-13,15-16,18H,14,17,19H2,1-3H3,(H,37,38);3-14,16,18-19H,15,17H2,1-2H3,(H,38,42);5-14,19H,15-18H2,1-4H3,(H,36,41).
What are the key properties of N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide?
N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide has a molecular weight of 3375.49 g/mol, XLogP of 26.97, 42 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[2-(dimethylamino)ethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(1H-imidazol-2-ylmethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-3-ylbenzamide;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-(pyridin-2-ylmethyl)benzamide is sourced from PubChem (CID 157107375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).