1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

C17H15N5O3 — CID 38468248

IUPAC1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H15N5O3/c1-8-6-11(14-9(2)21-22(3)15(14)18-8)16(23)19-10-4-5-13-12(7-10)20-17(24)25-13/h4-7H,1-3H3,(H,19,23)(H,20,24)
InChIKeyRRNADFQWCNKQPJ-UHFFFAOYSA-N
MW337.34 g/mol
LogP2.27
Rot. Bonds2

About 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 38468248) has the molecular formula C17H15N5O3 and a molecular weight of 337.34 g/mol. Its IUPAC name is 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID38468248
Molecular FormulaC17H15N5O3
Molecular Weight337.34 g/mol
Exact Mass337.12
IUPAC Name1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c2c(C)nn(C)c2n1
InChIInChI=1S/C17H15N5O3/c1-8-6-11(14-9(2)21-22(3)15(14)18-8)16(23)19-10-4-5-13-12(7-10)20-17(24)25-13/h4-7H,1-3H3,(H,19,23)(H,20,24)
InChIKeyRRNADFQWCNKQPJ-UHFFFAOYSA-N
XLogP2.27
TPSA105.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.34
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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
N-(3-iodophenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16621285
6-cyclopropyl-1,3-dimethyl-N-(2-oxo-1,3-dihydrobenzimidazol-5-yl)pyrazolo[5,4-b]pyridine-4-carboxamide
CID 31758245
1,3,6-trimethyl-N-(4-propylphenyl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 24627619
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55863776
N-(1,3-benzothiazol-5-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 131889264
1,3,6-trimethyl-N-(1-methylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 16622173
N-[3-(diethylcarbamoyl)phenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 38045945
N-[3-(methanesulfonamido)-4-methoxyphenyl]-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 24673298
N-(4-chloro-2-methylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 16609333
N-(4-carbamoyl-3-piperidin-1-ylphenyl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 86946840

Frequently Asked Questions

What is the IUPAC name of 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 38468248) is 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)Nc2ccc3oc(=O)[nH]c3c2)c2c(C)nn(C)c2n1.
What is the InChIKey of 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is RRNADFQWCNKQPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O3/c1-8-6-11(14-9(2)21-22(3)15(14)18-8)16(23)19-10-4-5-13-12(7-10)20-17(24)25-13/h4-7H,1-3H3,(H,19,23)(H,20,24).
What are the key properties of 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 337.34 g/mol, XLogP of 2.27, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,6-trimethyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 38468248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).