N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

C19H19N7O — CID 55857031

IUPACN-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H19N7O/c1-12-9-15(16-13(2)23-25(3)17(16)21-12)18(27)22-19-20-11-26(24-19)10-14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3,(H,22,24,27)
InChIKeyZSYQQOSEAICUCI-UHFFFAOYSA-N
MW361.41 g/mol
LogP2.48
Rot. Bonds4

About N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide

N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 55857031) has the molecular formula C19H19N7O and a molecular weight of 361.41 g/mol. Its IUPAC name is N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID55857031
Molecular FormulaC19H19N7O
Molecular Weight361.41 g/mol
Exact Mass361.17
IUPAC NameN-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)c2c(C)nn(C)c2n1
InChIInChI=1S/C19H19N7O/c1-12-9-15(16-13(2)23-25(3)17(16)21-12)18(27)22-19-20-11-26(24-19)10-14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3,(H,22,24,27)
InChIKeyZSYQQOSEAICUCI-UHFFFAOYSA-N
XLogP2.48
TPSA90.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1,3,6-trimethyl-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 19588375
N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-1,3-dimethyl-6-(1,3,5-trimethylpyrazol-4-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 19589569
1-butyl-N-[1-[(2-fluorophenyl)methyl]-1,2,4-triazol-3-yl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590216
N-(1-benzyl-1,2,4-triazol-3-yl)-3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 138994459
N-(1-anilino-1-oxo-3-phenylpropan-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86904109
N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 31766018
N-(1-benzyl-1,2,4-triazol-3-yl)-3-bromo-5-methyl-7-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 19464160
N-[(3-chlorophenyl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 46514405
N-[(4-benzylmorpholin-2-yl)methyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 24640690
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
1,3,6-trimethyl-N-[2-(2,2,2-trifluoroethoxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 33373987
1,3,6-trimethyl-N-[(2R)-2-phenylpropyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 32753002

Frequently Asked Questions

What is the IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide (CID 55857031) is N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ncn(Cc3ccccc3)n2)c2c(C)nn(C)c2n1.
What is the InChIKey of N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ZSYQQOSEAICUCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N7O/c1-12-9-15(16-13(2)23-25(3)17(16)21-12)18(27)22-19-20-11-26(24-19)10-14-7-5-4-6-8-14/h4-9,11H,10H2,1-3H3,(H,22,24,27).
What are the key properties of N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide?
N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 2.48, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55857031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).