4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

C67H73Cl4N21O8 — CID 161338113

IUPAC4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2Cc2cc(C)nn2C)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1cc(CO)n(C)n1.Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)n(C)n1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3cc(C)nn3C)c2Cl)cc1
InChIInChI=1S/C21H21ClN6O.C16H18ClN5O2.C14H14ClN5O2.C10H10ClN3O2.C6H10N2O/c1-12-5-7-15(8-6-12)24-21(29)17-10-23-20-18(19(17)22)14(3)26-28(20)11-16-9-13(2)25-27(16)4;1-5-24-16(23)12-7-18-15-13(14(12)17)10(3)20-22(15)8-11-6-9(2)19-21(11)4;1-7-4-9(19(3)17-7)6-20-13-11(8(2)18-20)12(15)10(5-16-13)14(21)22;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-5-3-6(4-9)8(2)7-5/h5-10H,11H2,1-4H3,(H,24,29);6-7H,5,8H2,1-4H3;4-5H,6H2,1-3H3,(H,21,22);4H,3H2,1-2H3,(H,12,13,14);3,9H,4H2,1-2H3
InChIKeyVMHOQUDDBCQRSC-UHFFFAOYSA-N
MW1442.27 g/mol
LogP11.20
Rot. Bonds14

About 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate

4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate (PubChem CID 161338113) has the molecular formula C67H73Cl4N21O8 and a molecular weight of 1442.27 g/mol. Its IUPAC name is 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
PubChem CID161338113
Molecular FormulaC67H73Cl4N21O8
Molecular Weight1442.27 g/mol
Exact Mass1439.47
IUPAC Name4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate
SMILESCCOC(=O)c1cnc2c(c(C)nn2Cc2cc(C)nn2C)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1cc(CO)n(C)n1.Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)n(C)n1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3cc(C)nn3C)c2Cl)cc1
InChIInChI=1S/C21H21ClN6O.C16H18ClN5O2.C14H14ClN5O2.C10H10ClN3O2.C6H10N2O/c1-12-5-7-15(8-6-12)24-21(29)17-10-23-20-18(19(17)22)14(3)26-28(20)11-16-9-13(2)25-27(16)4;1-5-24-16(23)12-7-18-15-13(14(12)17)10(3)20-22(15)8-11-6-9(2)19-21(11)4;1-7-4-9(19(3)17-7)6-20-13-11(8(2)18-20)12(15)10(5-16-13)14(21)22;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-5-3-6(4-9)8(2)7-5/h5-10H,11H2,1-4H3,(H,24,29);6-7H,5,8H2,1-4H3;4-5H,6H2,1-3H3,(H,21,22);4H,3H2,1-2H3,(H,12,13,14);3,9H,4H2,1-2H3
InChIKeyVMHOQUDDBCQRSC-UHFFFAOYSA-N
XLogP11.20
TPSA344.21 Ų
H-Bond Donors4
H-Bond Acceptors26
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001442.27
LogP ≤ 511.20
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1026

Analyze 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The IUPAC name of 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate (CID 161338113) is 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate.
What is the SMILES notation for 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The canonical SMILES for 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate is CCOC(=O)c1cnc2c(c(C)nn2Cc2cc(C)nn2C)c1Cl.CCOC(=O)c1cnc2n[nH]c(C)c2c1Cl.Cc1cc(CO)n(C)n1.Cc1cc(Cn2nc(C)c3c(Cl)c(C(=O)O)cnc32)n(C)n1.Cc1ccc(NC(=O)c2cnc3c(c(C)nn3Cc3cc(C)nn3C)c2Cl)cc1.
What is the InChIKey of 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
The InChIKey is VMHOQUDDBCQRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN6O.C16H18ClN5O2.C14H14ClN5O2.C10H10ClN3O2.C6H10N2O/c1-12-5-7-15(8-6-12)24-21(29)17-10-23-20-18(19(17)22)14(3)26-28(20)11-16-9-13(2)25-27(16)4;1-5-24-16(23)12-7-18-15-13(14(12)17)10(3)20-22(15)8-11-6-9(2)19-21(11)4;1-7-4-9(19(3)17-7)6-20-13-11(8(2)18-20)12(15)10(5-16-13)14(21)22;1-3-16-10(15)6-4-12-9-7(8(6)11)5(2)13-14-9;1-5-3-6(4-9)8(2)7-5/h5-10H,11H2,1-4H3,(H,24,29);6-7H,5,8H2,1-4H3;4-5H,6H2,1-3H3,(H,21,22);4H,3H2,1-2H3,(H,12,13,14);3,9H,4H2,1-2H3.
What are the key properties of 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate?
4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate has a molecular weight of 1442.27 g/mol, XLogP of 11.20, 14 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methyl-N-(4-methylphenyl)pyrazolo[3,4-b]pyridine-5-carboxamide;4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylic acid;(2,5-dimethylpyrazol-3-yl)methanol;ethyl 4-chloro-1-[(2,5-dimethylpyrazol-3-yl)methyl]-3-methylpyrazolo[3,4-b]pyridine-5-carboxylate;ethyl 4-chloro-3-methyl-2H-pyrazolo[3,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 161338113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).