6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

C170H147Cl5F3N15O20 — CID 160780525

IUPAC6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1cc(/C=C/c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5cc(C)c(Cl)c(C)c5)cc4)c3n2)cc(OC)c1C.COc1cc(/C=C/c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5cc(C)c(Cl)c(C)c5)cc4)c3n2)ccc1C.Cc1cc(/C=C/c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5cc(C)c(Cl)c(C)c5)cc4)c3n2)cc(C(F)(F)F)c1.Cc1cc(Oc2ccc(C(Cc3ccccc3)n3nc(C)c4c(C(=O)O)cc(/C=C/c5ccccc5)nc43)cc2)cc(C)c1Cl.Cc1cc(Oc2ccc(Cn3nc(C)c4c(C(=O)O)cc(/C=C/c5ccc6c(c5)OCO6)nc43)cc2)cc(C)c1Cl
InChIInChI=1S/C38H32ClN3O3.C34H32ClN3O5.C33H27ClF3N3O3.C33H30ClN3O4.C32H26ClN3O5/c1-24-20-32(21-25(2)36(24)39)45-31-18-15-29(16-19-31)34(22-28-12-8-5-9-13-28)42-37-35(26(3)41-42)33(38(43)44)23-30(40-37)17-14-27-10-6-4-7-11-27;1-19-13-27(14-20(2)32(19)35)43-26-11-8-23(9-12-26)18-38-33-31(22(4)37-38)28(34(39)40)17-25(36-33)10-7-24-15-29(41-5)21(3)30(16-24)42-6;1-18-11-23(15-24(12-18)33(35,36)37)5-8-25-16-28(32(41)42)29-21(4)39-40(31(29)38-25)17-22-6-9-26(10-7-22)43-27-13-19(2)30(34)20(3)14-27;1-19-6-7-23(16-29(19)40-5)8-11-25-17-28(33(38)39)30-22(4)36-37(32(30)35-25)18-24-9-12-26(13-10-24)41-27-14-20(2)31(34)21(3)15-27;1-18-12-25(13-19(2)30(18)33)41-24-9-5-22(6-10-24)16-36-31-29(20(3)35-36)26(32(37)38)15-23(34-31)8-4-21-7-11-27-28(14-21)40-17-39-27/h4-21,23,34H,22H2,1-3H3,(H,43,44);7-17H,18H2,1-6H3,(H,39,40);5-16H,17H2,1-4H3,(H,41,42);6-17H,18H2,1-5H3,(H,38,39);4-15H,16-17H2,1-3H3,(H,37,38)/b17-14+;10-7+;8-5+;11-8+;8-4+
InChIKeySANADFCSRXCNDI-APLUVFDKSA-N
MW2954.39 g/mol
LogP42.08
Rot. Bonds40

About 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid

6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (PubChem CID 160780525) has the molecular formula C170H147Cl5F3N15O20 and a molecular weight of 2954.39 g/mol. Its IUPAC name is 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
PubChem CID160780525
Molecular FormulaC170H147Cl5F3N15O20
Molecular Weight2954.39 g/mol
Exact Mass2949.93
IUPAC Name6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid
SMILESCOc1cc(/C=C/c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5cc(C)c(Cl)c(C)c5)cc4)c3n2)cc(OC)c1C.COc1cc(/C=C/c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5cc(C)c(Cl)c(C)c5)cc4)c3n2)ccc1C.Cc1cc(/C=C/c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5cc(C)c(Cl)c(C)c5)cc4)c3n2)cc(C(F)(F)F)c1.Cc1cc(Oc2ccc(C(Cc3ccccc3)n3nc(C)c4c(C(=O)O)cc(/C=C/c5ccccc5)nc43)cc2)cc(C)c1Cl.Cc1cc(Oc2ccc(Cn3nc(C)c4c(C(=O)O)cc(/C=C/c5ccc6c(c5)OCO6)nc43)cc2)cc(C)c1Cl
InChIInChI=1S/C38H32ClN3O3.C34H32ClN3O5.C33H27ClF3N3O3.C33H30ClN3O4.C32H26ClN3O5/c1-24-20-32(21-25(2)36(24)39)45-31-18-15-29(16-19-31)34(22-28-12-8-5-9-13-28)42-37-35(26(3)41-42)33(38(43)44)23-30(40-37)17-14-27-10-6-4-7-11-27;1-19-13-27(14-20(2)32(19)35)43-26-11-8-23(9-12-26)18-38-33-31(22(4)37-38)28(34(39)40)17-25(36-33)10-7-24-15-29(41-5)21(3)30(16-24)42-6;1-18-11-23(15-24(12-18)33(35,36)37)5-8-25-16-28(32(41)42)29-21(4)39-40(31(29)38-25)17-22-6-9-26(10-7-22)43-27-13-19(2)30(34)20(3)14-27;1-19-6-7-23(16-29(19)40-5)8-11-25-17-28(33(38)39)30-22(4)36-37(32(30)35-25)18-24-9-12-26(13-10-24)41-27-14-20(2)31(34)21(3)15-27;1-18-12-25(13-19(2)30(18)33)41-24-9-5-22(6-10-24)16-36-31-29(20(3)35-36)26(32(37)38)15-23(34-31)8-4-21-7-11-27-28(14-21)40-17-39-27/h4-21,23,34H,22H2,1-3H3,(H,43,44);7-17H,18H2,1-6H3,(H,39,40);5-16H,17H2,1-4H3,(H,41,42);6-17H,18H2,1-5H3,(H,38,39);4-15H,16-17H2,1-3H3,(H,37,38)/b17-14+;10-7+;8-5+;11-8+;8-4+
InChIKeySANADFCSRXCNDI-APLUVFDKSA-N
XLogP42.08
TPSA432.35 Ų
H-Bond Donors5
H-Bond Acceptors30
Rotatable Bonds40
Heavy Atoms213
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002954.39
LogP ≤ 542.08
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1030

Analyze 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The IUPAC name of 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid (CID 160780525) is 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid.
What is the SMILES notation for 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The canonical SMILES for 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is COc1cc(/C=C/c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5cc(C)c(Cl)c(C)c5)cc4)c3n2)cc(OC)c1C.COc1cc(/C=C/c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5cc(C)c(Cl)c(C)c5)cc4)c3n2)ccc1C.Cc1cc(/C=C/c2cc(C(=O)O)c3c(C)nn(Cc4ccc(Oc5cc(C)c(Cl)c(C)c5)cc4)c3n2)cc(C(F)(F)F)c1.Cc1cc(Oc2ccc(C(Cc3ccccc3)n3nc(C)c4c(C(=O)O)cc(/C=C/c5ccccc5)nc43)cc2)cc(C)c1Cl.Cc1cc(Oc2ccc(Cn3nc(C)c4c(C(=O)O)cc(/C=C/c5ccc6c(c5)OCO6)nc43)cc2)cc(C)c1Cl.
What is the InChIKey of 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
The InChIKey is SANADFCSRXCNDI-APLUVFDKSA-N. The full InChI is InChI=1S/C38H32ClN3O3.C34H32ClN3O5.C33H27ClF3N3O3.C33H30ClN3O4.C32H26ClN3O5/c1-24-20-32(21-25(2)36(24)39)45-31-18-15-29(16-19-31)34(22-28-12-8-5-9-13-28)42-37-35(26(3)41-42)33(38(43)44)23-30(40-37)17-14-27-10-6-4-7-11-27;1-19-13-27(14-20(2)32(19)35)43-26-11-8-23(9-12-26)18-38-33-31(22(4)37-38)28(34(39)40)17-25(36-33)10-7-24-15-29(41-5)21(3)30(16-24)42-6;1-18-11-23(15-24(12-18)33(35,36)37)5-8-25-16-28(32(41)42)29-21(4)39-40(31(29)38-25)17-22-6-9-26(10-7-22)43-27-13-19(2)30(34)20(3)14-27;1-19-6-7-23(16-29(19)40-5)8-11-25-17-28(33(38)39)30-22(4)36-37(32(30)35-25)18-24-9-12-26(13-10-24)41-27-14-20(2)31(34)21(3)15-27;1-18-12-25(13-19(2)30(18)33)41-24-9-5-22(6-10-24)16-36-31-29(20(3)35-36)26(32(37)38)15-23(34-31)8-4-21-7-11-27-28(14-21)40-17-39-27/h4-21,23,34H,22H2,1-3H3,(H,43,44);7-17H,18H2,1-6H3,(H,39,40);5-16H,17H2,1-4H3,(H,41,42);6-17H,18H2,1-5H3,(H,38,39);4-15H,16-17H2,1-3H3,(H,37,38)/b17-14+;10-7+;8-5+;11-8+;8-4+.
What are the key properties of 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid?
6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid has a molecular weight of 2954.39 g/mol, XLogP of 42.08, 40 rotatable bonds, 5 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3,5-dimethoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-6-[(E)-2-(3-methoxy-4-methylphenyl)ethenyl]-3-methylpyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[[4-(4-chloro-3,5-dimethylphenoxy)phenyl]methyl]-3-methyl-6-[(E)-2-[3-methyl-5-(trifluoromethyl)phenyl]ethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid;1-[1-[4-(4-chloro-3,5-dimethylphenoxy)phenyl]-2-phenylethyl]-3-methyl-6-[(E)-2-phenylethenyl]pyrazolo[3,4-b]pyridine-4-carboxylic acid is sourced from PubChem (CID 160780525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).