1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

C17H16N8O2 — CID 131932427

IUPAC1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H16N8O2/c1-9-8-13(14-10(2)22-25(3)15(14)18-9)16(26)19-11-4-6-12(7-5-11)27-17-20-23-24-21-17/h4-8H,1-3H3,(H,19,26)(H,20,21,23,24)
InChIKeyOTJFPWMTRYDZLA-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.14
Rot. Bonds4

About 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 131932427) has the molecular formula C17H16N8O2 and a molecular weight of 364.37 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID131932427
Molecular FormulaC17H16N8O2
Molecular Weight364.37 g/mol
Exact Mass364.14
IUPAC Name1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H16N8O2/c1-9-8-13(14-10(2)22-25(3)15(14)18-9)16(26)19-11-4-6-12(7-5-11)27-17-20-23-24-21-17/h4-8H,1-3H3,(H,19,26)(H,20,21,23,24)
InChIKeyOTJFPWMTRYDZLA-UHFFFAOYSA-N
XLogP2.14
TPSA123.50 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
N-(3,4-dimethoxyphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621214
1,3,6-trimethyl-N-[4-(2-methylpropanoylamino)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 31864419
butyl 4-[(1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carbonyl)amino]benzoate
CID 16609341
N-[4-(cyclopropylcarbamoylamino)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55531978
2,6-dimethoxy-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131888846
N-(3-iodophenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621285
1-methyl-6-oxo-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyridine-3-carboxamide
CID 131903630
1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 38468248
N-[4-(4-chloropyrazol-1-yl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35533333
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173
1,3,6-trimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609438

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide (CID 131932427) is 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(Oc3nn[nH]n3)cc2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is OTJFPWMTRYDZLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N8O2/c1-9-8-13(14-10(2)22-25(3)15(14)18-9)16(26)19-11-4-6-12(7-5-11)27-17-20-23-24-21-17/h4-8H,1-3H3,(H,19,26)(H,20,21,23,24).
What are the key properties of 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 364.37 g/mol, XLogP of 2.14, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-[4-(2H-tetrazol-5-yloxy)phenyl]pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 131932427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).