1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

C20H19N5O2 — CID 44822095

IUPAC1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)on1
InChIInChI=1S/C20H19N5O2/c1-12-9-16(20(26)22-17-10-13(2)24-27-17)18-14(3)23-25(19(18)21-12)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyZFQRYEDUOGDOPZ-UHFFFAOYSA-N
MW361.41 g/mol
LogP3.65
Rot. Bonds4

About 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide

1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (PubChem CID 44822095) has the molecular formula C20H19N5O2 and a molecular weight of 361.41 g/mol. Its IUPAC name is 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
PubChem CID44822095
Molecular FormulaC20H19N5O2
Molecular Weight361.41 g/mol
Exact Mass361.15
IUPAC Name1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
SMILESCc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)on1
InChIInChI=1S/C20H19N5O2/c1-12-9-16(20(26)22-17-10-13(2)24-27-17)18-14(3)23-25(19(18)21-12)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,22,26)
InChIKeyZFQRYEDUOGDOPZ-UHFFFAOYSA-N
XLogP3.65
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.41
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-benzyl-3,6-dimethyl-N-(5-methyl-1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823444
1-benzyl-N-(4-bromo-3-methylphenyl)-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823505
1-benzyl-3,6-dimethyl-N-[(1R)-1-(1-methylpyrazol-3-yl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51854163
N-(1-benzyl-5-methylpyrazol-3-yl)-1-butyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 19590060
1-benzyl-N-[1-(1,5-dimethylpyrazol-4-yl)ethyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44823462
1-benzyl-N-[(1-ethyl-5-methylpyrazol-4-yl)methyl]-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822451
N-[2-[(3-chlorophenyl)methyl]-5-methylpyrazol-3-yl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822092
N-(1-benzyl-1,2,4-triazol-3-yl)-1,3,6-trimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 55857031
N,1-dibenzyl-6-cyclopropyl-3-methylpyrazolo[5,4-b]pyridine-4-carboxamide
CID 44821533
1-ethyl-3,6-dimethyl-N-propylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35532740
1-ethyl-3,6-dimethyl-N-(1-propan-2-ylpyrazol-3-yl)pyrazolo[3,4-b]pyridine-4-carboxamide
CID 44822932
N-[(4-chlorophenyl)methyl]-1-ethyl-3,6-dimethylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 35522172

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The IUPAC name of 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide (CID 44822095) is 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The canonical SMILES for 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is Cc1cc(NC(=O)c2cc(C)nc3c2c(C)nn3Cc2ccccc2)on1.
What is the InChIKey of 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
The InChIKey is ZFQRYEDUOGDOPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O2/c1-12-9-16(20(26)22-17-10-13(2)24-27-17)18-14(3)23-25(19(18)21-12)11-15-7-5-4-6-8-15/h4-10H,11H2,1-3H3,(H,22,26).
What are the key properties of 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide?
1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide has a molecular weight of 361.41 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-3,6-dimethyl-N-(3-methyl-1,2-oxazol-5-yl)pyrazolo[3,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 44822095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).