4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

C98H103Cl7N32O5 — CID 160615924

IUPAC4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3CC3=NN=NC3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3CCN3CCN(C)CC3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3CCN3CCNCC3)c2Cl)cc1.Cc1nn(CC2=NN=NC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCN2CCNCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C22H27ClN6O.C21H25ClN6O.C20H22Cl2N6O.C18H16ClN7O.C17H13Cl2N7O/c1-15-4-6-17(7-5-15)25-22(30)18-14-24-21-19(20(18)23)16(2)26-29(21)13-12-28-10-8-27(3)9-11-28;1-14-3-5-16(6-4-14)25-21(29)17-13-24-20-18(19(17)22)15(2)26-28(20)12-11-27-9-7-23-8-10-27;1-13-17-18(22)16(20(29)25-15-4-2-14(21)3-5-15)12-24-19(17)28(26-13)11-10-27-8-6-23-7-9-27;1-10-3-5-12(6-4-10)22-18(27)14-8-20-17-15(16(14)19)11(2)24-26(17)9-13-7-21-25-23-13;1-9-14-15(19)13(17(27)22-11-4-2-10(18)3-5-11)7-20-16(14)26(24-9)8-12-6-21-25-23-12/h4-7,14H,8-13H2,1-3H3,(H,25,30);3-6,13,23H,7-12H2,1-2H3,(H,25,29);2-5,12,23H,6-11H2,1H3,(H,25,29);3-6,8H,7,9H2,1-2H3,(H,22,27);2-5,7H,6,8H2,1H3,(H,22,27)
InChIKeyRGBXVGADVRAEDN-UHFFFAOYSA-N
MW2057.29 g/mol
LogP17.16
Rot. Bonds23

About 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide

4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (PubChem CID 160615924) has the molecular formula C98H103Cl7N32O5 and a molecular weight of 2057.29 g/mol. Its IUPAC name is 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
PubChem CID160615924
Molecular FormulaC98H103Cl7N32O5
Molecular Weight2057.29 g/mol
Exact Mass2052.66
IUPAC Name4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide
SMILESCc1ccc(NC(=O)c2cnc3c(c(C)nn3CC3=NN=NC3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3CCN3CCN(C)CC3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3CCN3CCNCC3)c2Cl)cc1.Cc1nn(CC2=NN=NC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCN2CCNCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12
InChIInChI=1S/C22H27ClN6O.C21H25ClN6O.C20H22Cl2N6O.C18H16ClN7O.C17H13Cl2N7O/c1-15-4-6-17(7-5-15)25-22(30)18-14-24-21-19(20(18)23)16(2)26-29(21)13-12-28-10-8-27(3)9-11-28;1-14-3-5-16(6-4-14)25-21(29)17-13-24-20-18(19(17)22)15(2)26-28(20)12-11-27-9-7-23-8-10-27;1-13-17-18(22)16(20(29)25-15-4-2-14(21)3-5-15)12-24-19(17)28(26-13)11-10-27-8-6-23-7-9-27;1-10-3-5-12(6-4-10)22-18(27)14-8-20-17-15(16(14)19)11(2)24-26(17)9-13-7-21-25-23-13;1-9-14-15(19)13(17(27)22-11-4-2-10(18)3-5-11)7-20-16(14)26(24-9)8-12-6-21-25-23-12/h4-7,14H,8-13H2,1-3H3,(H,25,30);3-6,13,23H,7-12H2,1-2H3,(H,25,29);2-5,12,23H,6-11H2,1H3,(H,25,29);3-6,8H,7,9H2,1-2H3,(H,22,27);2-5,7H,6,8H2,1H3,(H,22,27)
InChIKeyRGBXVGADVRAEDN-UHFFFAOYSA-N
XLogP17.16
TPSA410.23 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds23
Heavy Atoms142
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002057.29
LogP ≤ 517.16
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The IUPAC name of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide (CID 160615924) is 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The canonical SMILES for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is Cc1ccc(NC(=O)c2cnc3c(c(C)nn3CC3=NN=NC3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3CCN3CCN(C)CC3)c2Cl)cc1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3CCN3CCNCC3)c2Cl)cc1.Cc1nn(CC2=NN=NC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.Cc1nn(CCN2CCNCC2)c2ncc(C(=O)Nc3ccc(Cl)cc3)c(Cl)c12.
What is the InChIKey of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
The InChIKey is RGBXVGADVRAEDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O.C21H25ClN6O.C20H22Cl2N6O.C18H16ClN7O.C17H13Cl2N7O/c1-15-4-6-17(7-5-15)25-22(30)18-14-24-21-19(20(18)23)16(2)26-29(21)13-12-28-10-8-27(3)9-11-28;1-14-3-5-16(6-4-14)25-21(29)17-13-24-20-18(19(17)22)15(2)26-28(20)12-11-27-9-7-23-8-10-27;1-13-17-18(22)16(20(29)25-15-4-2-14(21)3-5-15)12-24-19(17)28(26-13)11-10-27-8-6-23-7-9-27;1-10-3-5-12(6-4-10)22-18(27)14-8-20-17-15(16(14)19)11(2)24-26(17)9-13-7-21-25-23-13;1-9-14-15(19)13(17(27)22-11-4-2-10(18)3-5-11)7-20-16(14)26(24-9)8-12-6-21-25-23-12/h4-7,14H,8-13H2,1-3H3,(H,25,30);3-6,13,23H,7-12H2,1-2H3,(H,25,29);2-5,12,23H,6-11H2,1H3,(H,25,29);3-6,8H,7,9H2,1-2H3,(H,22,27);2-5,7H,6,8H2,1H3,(H,22,27).
What are the key properties of 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide?
4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide has a molecular weight of 2057.29 g/mol, XLogP of 17.16, 23 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-(4-chlorophenyl)-3-methyl-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-N-(4-chlorophenyl)-3-methyl-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-[2-(4-methylpiperazin-1-yl)ethyl]pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(2-piperazin-1-ylethyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-3-methyl-N-(4-methylphenyl)-1-(4H-triazol-5-ylmethyl)pyrazolo[3,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 160615924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).