N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

C165H153ClF21N27O22 — CID 157334360

IUPACN-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC[C@](N)(NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2)c1ccccc1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)c2ccc(Cl)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C36H37F3N6O4.C33H33F3N6O4.C32H29ClF3N5O4.2C32H27F6N5O5/c1-42(2)34(47)24-9-11-26(12-10-24)44-20-17-28-31(35(44)48)45(41-32(28)36(37,38)39)30-14-13-27(49-3)21-29(30)33(46)40-25-15-18-43(19-16-25)22-23-7-5-4-6-8-23;1-5-32(37,21-9-7-6-8-10-21)38-29(43)25-19-23(46-4)15-16-26(25)42-27-24(28(39-42)33(34,35)36)17-18-41(31(27)45)22-13-11-20(12-14-22)30(44)40(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;1-41(2)29(45)19-6-8-20(9-7-19)42-15-14-23-26(30(42)46)43(40-27(23)31(33,34)35)25-13-12-22(47-3)16-24(25)28(44)39-17-18-4-10-21(11-5-18)48-32(36,37)38;1-41(2)29(45)19-7-9-20(10-8-19)42-14-13-23-26(30(42)46)43(40-27(23)31(33,34)35)25-12-11-21(47-3)16-24(25)28(44)39-17-18-5-4-6-22(15-18)48-32(36,37)38/h4-14,21,25H,15-20,22H2,1-3H3,(H,40,46);6-16,19H,5,17-18,37H2,1-4H3,(H,38,43);5-14,17-18H,15-16H2,1-4H3,(H,37,42);4-13,16H,14-15,17H2,1-3H3,(H,39,44);4-12,15-16H,13-14,17H2,1-3H3,(H,39,44)/t;32-;;;/m.0.../s1
InChIKeyBFQVJSVLPBIQSI-AEMVLCAESA-N
MW3300.62 g/mol
LogP27.17
Rot. Bonds39

About N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide

N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (PubChem CID 157334360) has the molecular formula C165H153ClF21N27O22 and a molecular weight of 3300.62 g/mol. Its IUPAC name is N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
PubChem CID157334360
Molecular FormulaC165H153ClF21N27O22
Molecular Weight3300.62 g/mol
Exact Mass3298.10
IUPAC NameN-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide
SMILESCC[C@](N)(NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2)c1ccccc1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)c2ccc(Cl)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C36H37F3N6O4.C33H33F3N6O4.C32H29ClF3N5O4.2C32H27F6N5O5/c1-42(2)34(47)24-9-11-26(12-10-24)44-20-17-28-31(35(44)48)45(41-32(28)36(37,38)39)30-14-13-27(49-3)21-29(30)33(46)40-25-15-18-43(19-16-25)22-23-7-5-4-6-8-23;1-5-32(37,21-9-7-6-8-10-21)38-29(43)25-19-23(46-4)15-16-26(25)42-27-24(28(39-42)33(34,35)36)17-18-41(31(27)45)22-13-11-20(12-14-22)30(44)40(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;1-41(2)29(45)19-6-8-20(9-7-19)42-15-14-23-26(30(42)46)43(40-27(23)31(33,34)35)25-13-12-22(47-3)16-24(25)28(44)39-17-18-4-10-21(11-5-18)48-32(36,37)38;1-41(2)29(45)19-7-9-20(10-8-19)42-14-13-23-26(30(42)46)43(40-27(23)31(33,34)35)25-12-11-21(47-3)16-24(25)28(44)39-17-18-5-4-6-22(15-18)48-32(36,37)38/h4-14,21,25H,15-20,22H2,1-3H3,(H,40,46);6-16,19H,5,17-18,37H2,1-4H3,(H,38,43);5-14,17-18H,15-16H2,1-4H3,(H,37,42);4-13,16H,14-15,17H2,1-3H3,(H,39,44);4-12,15-16H,13-14,17H2,1-3H3,(H,39,44)/t;32-;;;/m.0.../s1
InChIKeyBFQVJSVLPBIQSI-AEMVLCAESA-N
XLogP27.17
TPSA531.57 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds39
Heavy Atoms236
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003300.62
LogP ≤ 527.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The IUPAC name of N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide (CID 157334360) is N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide.
What is the SMILES notation for N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The canonical SMILES for N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is CC[C@](N)(NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2)c1ccccc1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)c2ccc(Cl)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccc(OC(F)(F)F)cc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
The InChIKey is BFQVJSVLPBIQSI-AEMVLCAESA-N. The full InChI is InChI=1S/C36H37F3N6O4.C33H33F3N6O4.C32H29ClF3N5O4.2C32H27F6N5O5/c1-42(2)34(47)24-9-11-26(12-10-24)44-20-17-28-31(35(44)48)45(41-32(28)36(37,38)39)30-14-13-27(49-3)21-29(30)33(46)40-25-15-18-43(19-16-25)22-23-7-5-4-6-8-23;1-5-32(37,21-9-7-6-8-10-21)38-29(43)25-19-23(46-4)15-16-26(25)42-27-24(28(39-42)33(34,35)36)17-18-41(31(27)45)22-13-11-20(12-14-22)30(44)40(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;1-41(2)29(45)19-6-8-20(9-7-19)42-15-14-23-26(30(42)46)43(40-27(23)31(33,34)35)25-13-12-22(47-3)16-24(25)28(44)39-17-18-4-10-21(11-5-18)48-32(36,37)38;1-41(2)29(45)19-7-9-20(10-8-19)42-14-13-23-26(30(42)46)43(40-27(23)31(33,34)35)25-12-11-21(47-3)16-24(25)28(44)39-17-18-5-4-6-22(15-18)48-32(36,37)38/h4-14,21,25H,15-20,22H2,1-3H3,(H,40,46);6-16,19H,5,17-18,37H2,1-4H3,(H,38,43);5-14,17-18H,15-16H2,1-4H3,(H,37,42);4-13,16H,14-15,17H2,1-3H3,(H,39,44);4-12,15-16H,13-14,17H2,1-3H3,(H,39,44)/t;32-;;;/m.0.../s1.
What are the key properties of N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide?
N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide has a molecular weight of 3300.62 g/mol, XLogP of 27.17, 39 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-amino-1-phenylpropyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[1-(4-chlorophenyl)ethyl]-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]-5-methoxy-N-[[3-(trifluoromethoxy)phenyl]methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide is sourced from PubChem (CID 157334360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).