5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide

C18H17N7O — CID 86843572

IUPAC5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3cnc4n[nH]c(C)c4c3)c2C)cc1
InChIInChI=1S/C18H17N7O/c1-10-4-6-14(7-5-10)25-12(3)16(22-24-25)18(26)20-13-8-15-11(2)21-23-17(15)19-9-13/h4-9H,1-3H3,(H,20,26)(H,19,21,23)
InChIKeyAKYXBJMRVMLIBJ-UHFFFAOYSA-N
MW347.38 g/mol
LogP2.72
Rot. Bonds3

About 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide

5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide (PubChem CID 86843572) has the molecular formula C18H17N7O and a molecular weight of 347.38 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide
PubChem CID86843572
Molecular FormulaC18H17N7O
Molecular Weight347.38 g/mol
Exact Mass347.15
IUPAC Name5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide
SMILESCc1ccc(-n2nnc(C(=O)Nc3cnc4n[nH]c(C)c4c3)c2C)cc1
InChIInChI=1S/C18H17N7O/c1-10-4-6-14(7-5-10)25-12(3)16(22-24-25)18(26)20-13-8-15-11(2)21-23-17(15)19-9-13/h4-9H,1-3H3,(H,20,26)(H,19,21,23)
InChIKeyAKYXBJMRVMLIBJ-UHFFFAOYSA-N
XLogP2.72
TPSA101.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-fluorophenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150259
4,5-dimethyl-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)-1H-pyrazole-3-carboxamide
CID 90241214
N-(2,4-dimethylphenyl)-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 2150262
N-(2,4-dimethylphenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2150290
1-(3-chloro-4-methylphenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 7184921
N-[3-[(1S)-1-hydroxyethyl]phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 27245369
N-(4-chlorophenyl)-1-(4-fluorophenyl)-5-methyltriazole-4-carboxamide
CID 2141048
1-(3-chlorophenyl)-5-methyl-N-(4-methylphenyl)triazole-4-carboxamide
CID 2137572
N-(4-fluorophenyl)-5-methyl-1-(4-propan-2-ylphenyl)triazole-4-carboxamide
CID 9151696
1-(2,5-dimethylphenyl)-5-methyl-N-[4-(5-methyltriazol-1-yl)phenyl]triazole-4-carboxamide
CID 16649473
1-(4-fluorophenyl)-5-methyl-N-[3-(propanoylamino)phenyl]triazole-4-carboxamide
CID 55599112
N-[2,6-di(propan-2-yl)phenyl]-5-methyl-1-(4-methylphenyl)triazole-4-carboxamide
CID 60527228

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide?
The IUPAC name of 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide (CID 86843572) is 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide is Cc1ccc(-n2nnc(C(=O)Nc3cnc4n[nH]c(C)c4c3)c2C)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide?
The InChIKey is AKYXBJMRVMLIBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N7O/c1-10-4-6-14(7-5-10)25-12(3)16(22-24-25)18(26)20-13-8-15-11(2)21-23-17(15)19-9-13/h4-9H,1-3H3,(H,20,26)(H,19,21,23).
What are the key properties of 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide?
5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide has a molecular weight of 347.38 g/mol, XLogP of 2.72, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)-N-(3-methyl-2H-pyrazolo[3,4-b]pyridin-5-yl)triazole-4-carboxamide is sourced from PubChem (CID 86843572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).