3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate

C56H65BrN24O7 — CID 158146458

IUPAC3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCCc1cc(-c2nc(-c3nc(C(=O)OC)cc4c3cnn4C)n(C)n2)n(CC)n1.CCc1cc(-c2ncn(C)n2)n(CC)n1.CCn1nc(CO)cc1-c1nc(-c2nc(C(=O)OC)cc3c2cnn3C)n(C)n1.COC(=O)c1cc2c(cnn2C)c(Br)n1
InChIInChI=1S/C19H22N8O2.C18H20N8O3.C10H15N5.C9H8BrN3O2/c1-6-11-8-15(27(7-2)23-11)17-22-18(26(4)24-17)16-12-10-20-25(3)14(12)9-13(21-16)19(28)29-5;1-5-26-14(6-10(9-27)22-26)16-21-17(25(3)23-16)15-11-8-19-24(2)13(11)7-12(20-15)18(28)29-4;1-4-8-6-9(15(5-2)12-8)10-11-7-14(3)13-10;1-13-7-3-6(9(14)15-2)12-8(10)5(7)4-11-13/h8-10H,6-7H2,1-5H3;6-8,27H,5,9H2,1-4H3;6-7H,4-5H2,1-3H3;3-4H,1-2H3
InChIKeyFUOPQOYSDHRLNV-UHFFFAOYSA-N
MW1266.20 g/mol
LogP5.70
Rot. Bonds14

About 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate

3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate (PubChem CID 158146458) has the molecular formula C56H65BrN24O7 and a molecular weight of 1266.20 g/mol. Its IUPAC name is 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate.

Molecular Properties

Compound Name3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate
PubChem CID158146458
Molecular FormulaC56H65BrN24O7
Molecular Weight1266.20 g/mol
Exact Mass1264.47
IUPAC Name3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate
SMILESCCc1cc(-c2nc(-c3nc(C(=O)OC)cc4c3cnn4C)n(C)n2)n(CC)n1.CCc1cc(-c2ncn(C)n2)n(CC)n1.CCn1nc(CO)cc1-c1nc(-c2nc(C(=O)OC)cc3c2cnn3C)n(C)n1.COC(=O)c1cc2c(cnn2C)c(Br)n1
InChIInChI=1S/C19H22N8O2.C18H20N8O3.C10H15N5.C9H8BrN3O2/c1-6-11-8-15(27(7-2)23-11)17-22-18(26(4)24-17)16-12-10-20-25(3)14(12)9-13(21-16)19(28)29-5;1-5-26-14(6-10(9-27)22-26)16-21-17(25(3)23-16)15-11-8-19-24(2)13(11)7-12(20-15)18(28)29-4;1-4-8-6-9(15(5-2)12-8)10-11-7-14(3)13-10;1-13-7-3-6(9(14)15-2)12-8(10)5(7)4-11-13/h8-10H,6-7H2,1-5H3;6-8,27H,5,9H2,1-4H3;6-7H,4-5H2,1-3H3;3-4H,1-2H3
InChIKeyFUOPQOYSDHRLNV-UHFFFAOYSA-N
XLogP5.70
TPSA336.85 Ų
H-Bond Donors1
H-Bond Acceptors31
Rotatable Bonds14
Heavy Atoms88
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001266.20
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1031

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate with MolForge

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Related Compounds

Methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate
CID 156172906
Methyl 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate
CID 156172983
Methyl 4-[5-[1-ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate
CID 156173053
2-(4-Bromo-2-fluorophenyl)-7-(2-methylprop-1-enyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(2-methylpropyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-bromo-2-fluorophenyl)-7-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 157122652
potassium;2-amino-N'-butanoyl-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide;bis(2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carbohydrazide);ethanol;ethyl 2-amino-7-bromo-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-[2-(dimethylamino)pyrimidin-5-yl]-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;ethyl 2-amino-7-pyridin-3-yl-[1,2,4]triazolo[1,5-a]pyridine-5-carboxylate;hydrazine;acetate
CID 159358508
Lithium;1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylic acid;methyl 1-(3-bromophenyl)-5-(1-methylpyrazol-3-yl)pyrazolo[5,4-b]pyridine-3-carboxylate;hydroxide
CID 159460123
Sodium;3-bromo-1,5-dimethylpyrazole;[7-[(1,5-dimethylpyrazol-3-yl)amino]-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-11-yl]methanone;ethyl 7-amino-10-ethyl-3-methyl-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene-11-carboxylate;hydroxide
CID 159857645
Methyl 6-[(6-bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;methyl 6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate;tris(methyl 6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylate)
CID 160229898
6-Chloro-4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine;4,6-dichloro-1-methylpyrazolo[4,3-c]pyridine;3-(2-ethyl-5-methylpyrazol-3-yl)-1-methyl-1,2,4-triazole;4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxamide;methane;methyl 4-[5-(2-ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate
CID 160655261
6-[(6-Bromo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;6-[(6-iodo-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid;tris(6-[(6-methyl-2-morpholin-4-ylpyrazolo[1,5-a]pyridin-3-yl)methyl]pyridine-2-carboxylic acid)
CID 162065842
4-[5-[1-Ethyl-3-(phenylmethoxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid
CID 175266676
4-[5-(2-Ethyl-5-methylpyrazol-3-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylic acid
CID 175266678

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate?
The IUPAC name of 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate (CID 158146458) is 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate.
What is the SMILES notation for 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate?
The canonical SMILES for 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate is CCc1cc(-c2nc(-c3nc(C(=O)OC)cc4c3cnn4C)n(C)n2)n(CC)n1.CCc1cc(-c2ncn(C)n2)n(CC)n1.CCn1nc(CO)cc1-c1nc(-c2nc(C(=O)OC)cc3c2cnn3C)n(C)n1.COC(=O)c1cc2c(cnn2C)c(Br)n1.
What is the InChIKey of 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate?
The InChIKey is FUOPQOYSDHRLNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N8O2.C18H20N8O3.C10H15N5.C9H8BrN3O2/c1-6-11-8-15(27(7-2)23-11)17-22-18(26(4)24-17)16-12-10-20-25(3)14(12)9-13(21-16)19(28)29-5;1-5-26-14(6-10(9-27)22-26)16-21-17(25(3)23-16)15-11-8-19-24(2)13(11)7-12(20-15)18(28)29-4;1-4-8-6-9(15(5-2)12-8)10-11-7-14(3)13-10;1-13-7-3-6(9(14)15-2)12-8(10)5(7)4-11-13/h8-10H,6-7H2,1-5H3;6-8,27H,5,9H2,1-4H3;6-7H,4-5H2,1-3H3;3-4H,1-2H3.
What are the key properties of 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate?
3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate has a molecular weight of 1266.20 g/mol, XLogP of 5.70, 14 rotatable bonds, 1 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-diethylpyrazol-5-yl)-1-methyl-1,2,4-triazole;methyl 4-bromo-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-(1,3-diethylpyrazol-5-yl)-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate;methyl 4-[5-[1-ethyl-3-(hydroxymethyl)pyrazol-5-yl]-2-methyl-1,2,4-triazol-3-yl]-1-methylpyrazolo[4,3-c]pyridine-6-carboxylate is sourced from PubChem (CID 158146458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).