N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

C130H118F12N16O25S4 — CID 159950712

IUPACN-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(CCO)c2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N2CCCC(O)C2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCC(O)CO)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCO)c1
InChIInChI=1S/C36H31F3N4O6S.C33H31F3N4O6S.C31H29F3N4O7S.C30H27F3N4O6S/c1-49-26-16-17-30(29(22-26)34(45)42(20-21-44)24-8-4-3-5-9-24)43-32-28(33(40-43)36(37,38)39)18-19-41(35(32)46)25-14-12-23(13-15-25)27-10-6-7-11-31(27)50(2,47)48;1-46-23-13-14-27(26(18-23)31(42)38-16-5-6-22(41)19-38)40-29-25(30(37-40)33(34,35)36)15-17-39(32(29)43)21-11-9-20(10-12-21)24-7-3-4-8-28(24)47(2,44)45;1-45-21-11-12-25(24(15-21)29(41)35-16-20(40)17-39)38-27-23(28(36-38)31(32,33)34)13-14-37(30(27)42)19-9-7-18(8-10-19)22-5-3-4-6-26(22)46(2,43)44;1-43-20-11-12-24(23(17-20)28(39)34-14-16-38)37-26-22(27(35-37)30(31,32)33)13-15-36(29(26)40)19-9-7-18(8-10-19)21-5-3-4-6-25(21)44(2,41)42/h3-17,22,44H,18-21H2,1-2H3;3-4,7-14,18,22,41H,5-6,15-17,19H2,1-2H3;3-12,15,20,39-40H,13-14,16-17H2,1-2H3,(H,35,41);3-12,17,38H,13-16H2,1-2H3,(H,34,39)
InChIKeyOCBOXLALFSYOTK-UHFFFAOYSA-N
MW2660.70 g/mol
LogP17.73
Rot. Bonds32

About N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one

N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (PubChem CID 159950712) has the molecular formula C130H118F12N16O25S4 and a molecular weight of 2660.70 g/mol. Its IUPAC name is N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.

Molecular Properties

Compound NameN-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
PubChem CID159950712
Molecular FormulaC130H118F12N16O25S4
Molecular Weight2660.70 g/mol
Exact Mass2658.71
IUPAC NameN-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(CCO)c2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N2CCCC(O)C2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCC(O)CO)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCO)c1
InChIInChI=1S/C36H31F3N4O6S.C33H31F3N4O6S.C31H29F3N4O7S.C30H27F3N4O6S/c1-49-26-16-17-30(29(22-26)34(45)42(20-21-44)24-8-4-3-5-9-24)43-32-28(33(40-43)36(37,38)39)18-19-41(35(32)46)25-14-12-23(13-15-25)27-10-6-7-11-31(27)50(2,47)48;1-46-23-13-14-27(26(18-23)31(42)38-16-5-6-22(41)19-38)40-29-25(30(37-40)33(34,35)36)15-17-39(32(29)43)21-11-9-20(10-12-21)24-7-3-4-8-28(24)47(2,44)45;1-45-21-11-12-25(24(15-21)29(41)35-16-20(40)17-39)38-27-23(28(36-38)31(32,33)34)13-14-37(30(27)42)19-9-7-18(8-10-19)22-5-3-4-6-26(22)46(2,43)44;1-43-20-11-12-24(23(17-20)28(39)34-14-16-38)37-26-22(27(35-37)30(31,32)33)13-15-36(29(26)40)19-9-7-18(8-10-19)21-5-3-4-6-25(21)44(2,41)42/h3-17,22,44H,18-21H2,1-2H3;3-4,7-14,18,22,41H,5-6,15-17,19H2,1-2H3;3-12,15,20,39-40H,13-14,16-17H2,1-2H3,(H,35,41);3-12,17,38H,13-16H2,1-2H3,(H,34,39)
InChIKeyOCBOXLALFSYOTK-UHFFFAOYSA-N
XLogP17.73
TPSA525.97 Ų
H-Bond Donors7
H-Bond Acceptors33
Rotatable Bonds32
Heavy Atoms187
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002660.70
LogP ≤ 517.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1033

Analyze N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one with MolForge

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Related Compounds

N-(2-anilinoethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630057
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
N-(2-hydroxyphenyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630067
N-(2-hydroxyethyl)-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]-N-phenylbenzamide
CID 58630069
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
5-methoxy-N-(2-methoxyethyl)-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630133
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-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[3,4-c]pyridin-1-yl]benzamide
CID 58630178
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

Frequently Asked Questions

What is the IUPAC name of N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The IUPAC name of N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one (CID 159950712) is N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one.
What is the SMILES notation for N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The canonical SMILES for N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N(CCO)c2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N2CCCC(O)C2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCC(O)CO)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCO)c1.
What is the InChIKey of N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
The InChIKey is OCBOXLALFSYOTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H31F3N4O6S.C33H31F3N4O6S.C31H29F3N4O7S.C30H27F3N4O6S/c1-49-26-16-17-30(29(22-26)34(45)42(20-21-44)24-8-4-3-5-9-24)43-32-28(33(40-43)36(37,38)39)18-19-41(35(32)46)25-14-12-23(13-15-25)27-10-6-7-11-31(27)50(2,47)48;1-46-23-13-14-27(26(18-23)31(42)38-16-5-6-22(41)19-38)40-29-25(30(37-40)33(34,35)36)15-17-39(32(29)43)21-11-9-20(10-12-21)24-7-3-4-8-28(24)47(2,44)45;1-45-21-11-12-25(24(15-21)29(41)35-16-20(40)17-39)38-27-23(28(36-38)31(32,33)34)13-14-37(30(27)42)19-9-7-18(8-10-19)22-5-3-4-6-26(22)46(2,43)44;1-43-20-11-12-24(23(17-20)28(39)34-14-16-38)37-26-22(27(35-37)30(31,32)33)13-15-36(29(26)40)19-9-7-18(8-10-19)21-5-3-4-6-25(21)44(2,41)42/h3-17,22,44H,18-21H2,1-2H3;3-4,7-14,18,22,41H,5-6,15-17,19H2,1-2H3;3-12,15,20,39-40H,13-14,16-17H2,1-2H3,(H,35,41);3-12,17,38H,13-16H2,1-2H3,(H,34,39).
What are the key properties of N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one?
N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one has a molecular weight of 2660.70 g/mol, XLogP of 17.73, 32 rotatable bonds, 7 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3-dihydroxypropyl)-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-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-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-phenylbenzamide;1-[2-(3-hydroxypiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one is sourced from PubChem (CID 159950712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).