N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide

C157H150Cl2F16N26O21 — CID 158742243

IUPACN-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)CN(C)C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)c2ccc(F)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccc(C)c(Cl)c2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2cccc(Cl)c2)c1.COc1ccc(C(C)NC(=O)c2cc(OC)ccc2-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)cc1
InChIInChI=1S/C33H32F3N5O5.C32H29ClF3N5O4.C32H29F4N5O4.C31H27ClF3N5O4.C29H33F3N6O4/c1-19(20-8-12-23(45-4)13-9-20)37-30(42)26-18-24(46-5)14-15-27(26)41-28-25(29(38-41)33(34,35)36)16-17-40(32(28)44)22-10-6-21(7-11-22)31(43)39(2)3;1-18-5-6-19(15-25(18)33)17-37-29(42)24-16-22(45-4)11-12-26(24)41-27-23(28(38-41)32(34,35)36)13-14-40(31(27)44)21-9-7-20(8-10-21)30(43)39(2)3;1-18(19-5-9-21(33)10-6-19)37-29(42)25-17-23(45-4)13-14-26(25)41-27-24(28(38-41)32(34,35)36)15-16-40(31(27)44)22-11-7-20(8-12-22)30(43)39(2)3;1-38(2)29(42)19-7-9-21(10-8-19)39-14-13-23-26(30(39)43)40(37-27(23)31(33,34)35)25-12-11-22(44-3)16-24(25)28(41)36-17-18-5-4-6-20(32)15-18;1-17(16-35(2)3)33-26(39)22-15-20(42-6)11-12-23(22)38-24-21(25(34-38)29(30,31)32)13-14-37(28(24)41)19-9-7-18(8-10-19)27(40)36(4)5/h6-15,18-19H,16-17H2,1-5H3,(H,37,42);5-12,15-16H,13-14,17H2,1-4H3,(H,37,42);5-14,17-18H,15-16H2,1-4H3,(H,37,42);4-12,15-16H,13-14,17H2,1-3H3,(H,36,41);7-12,15,17H,13-14,16H2,1-6H3,(H,33,39)
InChIKeyIMLCKVQRNJNSBV-UHFFFAOYSA-N
MW3111.96 g/mol
LogP25.31
Rot. Bonds37

About N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide

N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide (PubChem CID 158742243) has the molecular formula C157H150Cl2F16N26O21 and a molecular weight of 3111.96 g/mol. Its IUPAC name is N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide
PubChem CID158742243
Molecular FormulaC157H150Cl2F16N26O21
Molecular Weight3111.96 g/mol
Exact Mass3109.06
IUPAC NameN-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)CN(C)C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)c2ccc(F)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccc(C)c(Cl)c2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2cccc(Cl)c2)c1.COc1ccc(C(C)NC(=O)c2cc(OC)ccc2-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)cc1
InChIInChI=1S/C33H32F3N5O5.C32H29ClF3N5O4.C32H29F4N5O4.C31H27ClF3N5O4.C29H33F3N6O4/c1-19(20-8-12-23(45-4)13-9-20)37-30(42)26-18-24(46-5)14-15-27(26)41-28-25(29(38-41)33(34,35)36)16-17-40(32(28)44)22-10-6-21(7-11-22)31(43)39(2)3;1-18-5-6-19(15-25(18)33)17-37-29(42)24-16-22(45-4)11-12-26(24)41-27-23(28(38-41)32(34,35)36)13-14-40(31(27)44)21-9-7-20(8-10-21)30(43)39(2)3;1-18(19-5-9-21(33)10-6-19)37-29(42)25-17-23(45-4)13-14-26(25)41-27-24(28(38-41)32(34,35)36)15-16-40(31(27)44)22-11-7-20(8-12-22)30(43)39(2)3;1-38(2)29(42)19-7-9-21(10-8-19)39-14-13-23-26(30(39)43)40(37-27(23)31(33,34)35)25-12-11-22(44-3)16-24(25)28(41)36-17-18-5-4-6-20(32)15-18;1-17(16-35(2)3)33-26(39)22-15-20(42-6)11-12-23(22)38-24-21(25(34-38)29(30,31)32)13-14-37(28(24)41)19-9-7-18(8-10-19)27(40)36(4)5/h6-15,18-19H,16-17H2,1-5H3,(H,37,42);5-12,15-16H,13-14,17H2,1-4H3,(H,37,42);5-14,17-18H,15-16H2,1-4H3,(H,37,42);4-12,15-16H,13-14,17H2,1-3H3,(H,36,41);7-12,15,17H,13-14,16H2,1-6H3,(H,33,39)
InChIKeyIMLCKVQRNJNSBV-UHFFFAOYSA-N
XLogP25.31
TPSA496.32 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds37
Heavy Atoms222
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5003111.96
LogP ≤ 525.31
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Analyze N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The IUPAC name of N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide (CID 158742243) is N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide.
What is the SMILES notation for N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The canonical SMILES for N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)CN(C)C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)c2ccc(F)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccc(C)c(Cl)c2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2cccc(Cl)c2)c1.COc1ccc(C(C)NC(=O)c2cc(OC)ccc2-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)cc1.
What is the InChIKey of N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide?
The InChIKey is IMLCKVQRNJNSBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H32F3N5O5.C32H29ClF3N5O4.C32H29F4N5O4.C31H27ClF3N5O4.C29H33F3N6O4/c1-19(20-8-12-23(45-4)13-9-20)37-30(42)26-18-24(46-5)14-15-27(26)41-28-25(29(38-41)33(34,35)36)16-17-40(32(28)44)22-10-6-21(7-11-22)31(43)39(2)3;1-18-5-6-19(15-25(18)33)17-37-29(42)24-16-22(45-4)11-12-26(24)41-27-23(28(38-41)32(34,35)36)13-14-40(31(27)44)21-9-7-20(8-10-21)30(43)39(2)3;1-18(19-5-9-21(33)10-6-19)37-29(42)25-17-23(45-4)13-14-26(25)41-27-24(28(38-41)32(34,35)36)15-16-40(31(27)44)22-11-7-20(8-12-22)30(43)39(2)3;1-38(2)29(42)19-7-9-21(10-8-19)39-14-13-23-26(30(39)43)40(37-27(23)31(33,34)35)25-12-11-22(44-3)16-24(25)28(41)36-17-18-5-4-6-20(32)15-18;1-17(16-35(2)3)33-26(39)22-15-20(42-6)11-12-23(22)38-24-21(25(34-38)29(30,31)32)13-14-37(28(24)41)19-9-7-18(8-10-19)27(40)36(4)5/h6-15,18-19H,16-17H2,1-5H3,(H,37,42);5-12,15-16H,13-14,17H2,1-4H3,(H,37,42);5-14,17-18H,15-16H2,1-4H3,(H,37,42);4-12,15-16H,13-14,17H2,1-3H3,(H,36,41);7-12,15,17H,13-14,16H2,1-6H3,(H,33,39).
What are the key properties of N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide?
N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide has a molecular weight of 3111.96 g/mol, XLogP of 25.31, 37 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chloro-4-methylphenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(3-chlorophenyl)methyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(dimethylamino)propan-2-yl]-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-[1-(4-fluorophenyl)ethyl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[1-(4-methoxyphenyl)ethyl]benzamide is sourced from PubChem (CID 158742243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).