1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide

C165H154F15N23O27S5 — CID 159575983

IUPAC1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N2CCC(N)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N2CCC(O)C2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCCN(C)C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N[C@H]2CCCC[C@@H]2O)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C34H33F3N4O6S.C33H32F3N5O5S.C33H26F3N5O5S.C33H34F3N5O5S.C32H29F3N4O6S/c1-47-22-15-16-27(25(19-22)32(43)38-26-8-4-5-9-28(26)42)41-30-24(31(39-41)34(35,36)37)17-18-40(33(30)44)21-13-11-20(12-14-21)23-7-3-6-10-29(23)48(2,45)46;1-46-23-11-12-27(26(19-23)31(42)39-16-13-21(37)14-17-39)41-29-25(30(38-41)33(34,35)36)15-18-40(32(29)43)22-9-7-20(8-10-22)24-5-3-4-6-28(24)47(2,44)45;1-46-23-11-12-27(26(19-23)31(42)38-21-13-16-37-17-14-21)41-29-25(30(39-41)33(34,35)36)15-18-40(32(29)43)22-9-7-20(8-10-22)24-5-3-4-6-28(24)47(2,44)45;1-39(2)18-7-17-37-31(42)26-20-23(46-3)14-15-27(26)41-29-25(30(38-41)33(34,35)36)16-19-40(32(29)43)22-12-10-21(11-13-22)24-8-5-6-9-28(24)47(4,44)45;1-45-22-11-12-26(25(17-22)30(41)37-15-13-21(40)18-37)39-28-24(29(36-39)32(33,34)35)14-16-38(31(28)42)20-9-7-19(8-10-20)23-5-3-4-6-27(23)46(2,43)44/h3,6-7,10-16,19,26,28,42H,4-5,8-9,17-18H2,1-2H3,(H,38,43);3-12,19,21H,13-18,37H2,1-2H3;3-14,16-17,19H,15,18H2,1-2H3,(H,37,38,42);5-6,8-15,20H,7,16-19H2,1-4H3,(H,37,42);3-12,17,21,40H,13-16,18H2,1-2H3/t26-,28-;;;;/m0..../s1
InChIKeyMIKITHLYSSHJRN-YSBNCRGASA-N
MW3336.49 g/mol
LogP25.00
Rot. Bonds36

About 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide

1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide (PubChem CID 159575983) has the molecular formula C165H154F15N23O27S5 and a molecular weight of 3336.49 g/mol. Its IUPAC name is 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide.

Molecular Properties

Compound Name1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide
PubChem CID159575983
Molecular FormulaC165H154F15N23O27S5
Molecular Weight3336.49 g/mol
Exact Mass3333.97
IUPAC Name1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide
SMILESCOc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N2CCC(N)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N2CCC(O)C2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCCN(C)C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N[C@H]2CCCC[C@@H]2O)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)Nc2ccncc2)c1
InChIInChI=1S/C34H33F3N4O6S.C33H32F3N5O5S.C33H26F3N5O5S.C33H34F3N5O5S.C32H29F3N4O6S/c1-47-22-15-16-27(25(19-22)32(43)38-26-8-4-5-9-28(26)42)41-30-24(31(39-41)34(35,36)37)17-18-40(33(30)44)21-13-11-20(12-14-21)23-7-3-6-10-29(23)48(2,45)46;1-46-23-11-12-27(26(19-23)31(42)39-16-13-21(37)14-17-39)41-29-25(30(38-41)33(34,35)36)15-18-40(32(29)43)22-9-7-20(8-10-22)24-5-3-4-6-28(24)47(2,44)45;1-46-23-11-12-27(26(19-23)31(42)38-21-13-16-37-17-14-21)41-29-25(30(39-41)33(34,35)36)15-18-40(32(29)43)22-9-7-20(8-10-22)24-5-3-4-6-28(24)47(2,44)45;1-39(2)18-7-17-37-31(42)26-20-23(46-3)14-15-27(26)41-29-25(30(38-41)33(34,35)36)16-19-40(32(29)43)22-12-10-21(11-13-22)24-8-5-6-9-28(24)47(4,44)45;1-45-22-11-12-26(25(17-22)30(41)37-15-13-21(40)18-37)39-28-24(29(36-39)32(33,34)35)14-16-38(31(28)42)20-9-7-19(8-10-20)23-5-3-4-6-27(23)46(2,43)44/h3,6-7,10-16,19,26,28,42H,4-5,8-9,17-18H2,1-2H3,(H,38,43);3-12,19,21H,13-18,37H2,1-2H3;3-14,16-17,19H,15,18H2,1-2H3,(H,37,38,42);5-6,8-15,20H,7,16-19H2,1-4H3,(H,37,42);3-12,17,21,40H,13-16,18H2,1-2H3/t26-,28-;;;;/m0..../s1
InChIKeyMIKITHLYSSHJRN-YSBNCRGASA-N
XLogP25.00
TPSA618.03 Ų
H-Bond Donors6
H-Bond Acceptors40
Rotatable Bonds36
Heavy Atoms235
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003336.49
LogP ≤ 525.00
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1040

Computed Properties (RDKit)

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

Analyze 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide?
The IUPAC name of 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide (CID 159575983) is 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide.
What is the SMILES notation for 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide?
The canonical SMILES for 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide is COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N2CCC(N)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N2CCC(O)C2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)NCCCN(C)C)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)N[C@H]2CCCC[C@@H]2O)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(-c4ccccc4S(C)(=O)=O)cc2)CC3)c(C(=O)Nc2ccncc2)c1.
What is the InChIKey of 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide?
The InChIKey is MIKITHLYSSHJRN-YSBNCRGASA-N. The full InChI is InChI=1S/C34H33F3N4O6S.C33H32F3N5O5S.C33H26F3N5O5S.C33H34F3N5O5S.C32H29F3N4O6S/c1-47-22-15-16-27(25(19-22)32(43)38-26-8-4-5-9-28(26)42)41-30-24(31(39-41)34(35,36)37)17-18-40(33(30)44)21-13-11-20(12-14-21)23-7-3-6-10-29(23)48(2,45)46;1-46-23-11-12-27(26(19-23)31(42)39-16-13-21(37)14-17-39)41-29-25(30(38-41)33(34,35)36)15-18-40(32(29)43)22-9-7-20(8-10-22)24-5-3-4-6-28(24)47(2,44)45;1-46-23-11-12-27(26(19-23)31(42)38-21-13-16-37-17-14-21)41-29-25(30(39-41)33(34,35)36)15-18-40(32(29)43)22-9-7-20(8-10-22)24-5-3-4-6-28(24)47(2,44)45;1-39(2)18-7-17-37-31(42)26-20-23(46-3)14-15-27(26)41-29-25(30(38-41)33(34,35)36)16-19-40(32(29)43)22-12-10-21(11-13-22)24-8-5-6-9-28(24)47(4,44)45;1-45-22-11-12-26(25(17-22)30(41)37-15-13-21(40)18-37)39-28-24(29(36-39)32(33,34)35)14-16-38(31(28)42)20-9-7-19(8-10-20)23-5-3-4-6-27(23)46(2,43)44/h3,6-7,10-16,19,26,28,42H,4-5,8-9,17-18H2,1-2H3,(H,38,43);3-12,19,21H,13-18,37H2,1-2H3;3-14,16-17,19H,15,18H2,1-2H3,(H,37,38,42);5-6,8-15,20H,7,16-19H2,1-4H3,(H,37,42);3-12,17,21,40H,13-16,18H2,1-2H3/t26-,28-;;;;/m0..../s1.
What are the key properties of 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide?
1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide has a molecular weight of 3336.49 g/mol, XLogP of 25.00, 36 rotatable bonds, 6 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopiperidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;N-[3-(dimethylamino)propyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;N-[(1S,2S)-2-hydroxycyclohexyl]-5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]benzamide;1-[2-(3-hydroxypyrrolidine-1-carbonyl)-4-methoxyphenyl]-6-[4-(2-methylsulfonylphenyl)phenyl]-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-7-one;5-methoxy-2-[6-[4-(2-methylsulfonylphenyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-pyridin-4-ylbenzamide is sourced from PubChem (CID 159575983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).