N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide

C166H151F15N20O31S5 — CID 159937093

IUPACN,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(C)CCO)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(CCO)CCO)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCC(C)O)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCC(O)c2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/2C36H31F3N4O6S.C32H31F3N4O7S.2C31H29F3N4O6S/c1-49-25-16-17-30(28(20-25)34(45)40-29(21-44)23-8-4-3-5-9-23)43-32-27(33(41-43)36(37,38)39)18-19-42(35(32)46)24-14-12-22(13-15-24)26-10-6-7-11-31(26)50(2,47)48;1-49-25-16-17-29(28(20-25)34(45)40-21-30(44)23-8-4-3-5-9-23)43-32-27(33(41-43)36(37,38)39)18-19-42(35(32)46)24-14-12-22(13-15-24)26-10-6-7-11-31(26)50(2,47)48;1-46-22-11-12-26(25(19-22)30(42)37(15-17-40)16-18-41)39-28-24(29(36-39)32(33,34)35)13-14-38(31(28)43)21-9-7-20(8-10-21)23-5-3-4-6-27(23)47(2,44)45;1-18(39)17-35-29(40)24-16-21(44-2)12-13-25(24)38-27-23(28(36-38)31(32,33)34)14-15-37(30(27)41)20-10-8-19(9-11-20)22-6-4-5-7-26(22)45(3,42)43;1-36(16-17-39)29(40)24-18-21(44-2)12-13-25(24)38-27-23(28(35-38)31(32,33)34)14-15-37(30(27)41)20-10-8-19(9-11-20)22-6-4-5-7-26(22)45(3,42)43/h3-17,20,29,44H,18-19,21H2,1-2H3,(H,40,45);3-17,20,30,44H,18-19,21H2,1-2H3,(H,40,45);3-12,19,40-41H,13-18H2,1-2H3;4-13,16,18,39H,14-15,17H2,1-3H3,(H,35,40);4-13,18,39H,14-17H2,1-3H3/t29-;;;;/m0..../s1
InChIKeyOAJVIYQPZGLTFV-SQIAFYDGSA-N
MW3367.45 g/mol
LogP23.39
Rot. Bonds44

About N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide

N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide (PubChem CID 159937093) has the molecular formula C166H151F15N20O31S5 and a molecular weight of 3367.45 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
PubChem CID159937093
Molecular FormulaC166H151F15N20O31S5
Molecular Weight3367.45 g/mol
Exact Mass3364.92
IUPAC NameN,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(C)CCO)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(CCO)CCO)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCC(C)O)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCC(O)c2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N[C@@H](CO)c2ccccc2)c1
InChIInChI=1S/2C36H31F3N4O6S.C32H31F3N4O7S.2C31H29F3N4O6S/c1-49-25-16-17-30(28(20-25)34(45)40-29(21-44)23-8-4-3-5-9-23)43-32-27(33(41-43)36(37,38)39)18-19-42(35(32)46)24-14-12-22(13-15-24)26-10-6-7-11-31(26)50(2,47)48;1-49-25-16-17-29(28(20-25)34(45)40-21-30(44)23-8-4-3-5-9-23)43-32-27(33(41-43)36(37,38)39)18-19-42(35(32)46)24-14-12-22(13-15-24)26-10-6-7-11-31(26)50(2,47)48;1-46-22-11-12-26(25(19-22)30(42)37(15-17-40)16-18-41)39-28-24(29(36-39)32(33,34)35)13-14-38(31(28)43)21-9-7-20(8-10-21)23-5-3-4-6-27(23)47(2,44)45;1-18(39)17-35-29(40)24-16-21(44-2)12-13-25(24)38-27-23(28(36-38)31(32,33)34)14-15-37(30(27)41)20-10-8-19(9-11-20)22-6-4-5-7-26(22)45(3,42)43;1-36(16-17-39)29(40)24-18-21(44-2)12-13-25(24)38-27-23(28(35-38)31(32,33)34)14-15-37(30(27)41)20-10-8-19(9-11-20)22-6-4-5-7-26(22)45(3,42)43/h3-17,20,29,44H,18-19,21H2,1-2H3,(H,40,45);3-17,20,30,44H,18-19,21H2,1-2H3,(H,40,45);3-12,19,40-41H,13-18H2,1-2H3;4-13,16,18,39H,14-15,17H2,1-3H3,(H,35,40);4-13,18,39H,14-17H2,1-3H3/t29-;;;;/m0..../s1
InChIKeyOAJVIYQPZGLTFV-SQIAFYDGSA-N
XLogP23.39
TPSA656.80 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds44
Heavy Atoms237
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003367.45
LogP ≤ 523.39
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Analyze N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide with MolForge

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Related Compounds

N-(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630061
1-[2-(3-Hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 58630078
1-[2-(4-Aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 58630081
1-[2-(3-Hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 58630089
N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630108
1-[2-[(2S)-2-(hydroxymethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 58630135
N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630179
N-(1-hydroxypropan-2-yl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630185
N-[(1S,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630186
5-methoxy-N-[2-(1-methylpyrrolidin-2-yl)ethyl]-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630207
N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630241
N-(2,3-dihydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630246

Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide (CID 159937093) is N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(C)CCO)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(CCO)CCO)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCC(C)O)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCC(O)c2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N[C@@H](CO)c2ccccc2)c1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
The InChIKey is OAJVIYQPZGLTFV-SQIAFYDGSA-N. The full InChI is InChI=1S/2C36H31F3N4O6S.C32H31F3N4O7S.2C31H29F3N4O6S/c1-49-25-16-17-30(28(20-25)34(45)40-29(21-44)23-8-4-3-5-9-23)43-32-27(33(41-43)36(37,38)39)18-19-42(35(32)46)24-14-12-22(13-15-24)26-10-6-7-11-31(26)50(2,47)48;1-49-25-16-17-29(28(20-25)34(45)40-21-30(44)23-8-4-3-5-9-23)43-32-27(33(41-43)36(37,38)39)18-19-42(35(32)46)24-14-12-22(13-15-24)26-10-6-7-11-31(26)50(2,47)48;1-46-22-11-12-26(25(19-22)30(42)37(15-17-40)16-18-41)39-28-24(29(36-39)32(33,34)35)13-14-38(31(28)43)21-9-7-20(8-10-21)23-5-3-4-6-27(23)47(2,44)45;1-18(39)17-35-29(40)24-16-21(44-2)12-13-25(24)38-27-23(28(36-38)31(32,33)34)14-15-37(30(27)41)20-10-8-19(9-11-20)22-6-4-5-7-26(22)45(3,42)43;1-36(16-17-39)29(40)24-18-21(44-2)12-13-25(24)38-27-23(28(35-38)31(32,33)34)14-15-37(30(27)41)20-10-8-19(9-11-20)22-6-4-5-7-26(22)45(3,42)43/h3-17,20,29,44H,18-19,21H2,1-2H3,(H,40,45);3-17,20,30,44H,18-19,21H2,1-2H3,(H,40,45);3-12,19,40-41H,13-18H2,1-2H3;4-13,16,18,39H,14-15,17H2,1-3H3,(H,35,40);4-13,18,39H,14-17H2,1-3H3/t29-;;;;/m0..../s1.
What are the key properties of N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide?
N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide has a molecular weight of 3367.45 g/mol, XLogP of 23.39, 44 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxyethyl)-5-methoxy-N-methyl-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1R)-2-hydroxy-1-phenylethyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxy-2-phenylethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-(2-hydroxypropyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide is sourced from PubChem (CID 159937093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).