5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine

C18H21N3O — CID 142608469

IUPAC5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine
SMILESCOc1ccccc1-c1nc2c(C)nn(C(C)C)c2cc1C
InChIInChI=1S/C18H21N3O/c1-11(2)21-15-10-12(3)17(19-18(15)13(4)20-21)14-8-6-7-9-16(14)22-5/h6-11H,1-5H3
InChIKeyOSBOOFALLQCYDR-UHFFFAOYSA-N
MW295.39 g/mol
LogP4.30
Rot. Bonds3

About 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine

5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine (PubChem CID 142608469) has the molecular formula C18H21N3O and a molecular weight of 295.39 g/mol. Its IUPAC name is 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine
PubChem CID142608469
Molecular FormulaC18H21N3O
Molecular Weight295.39 g/mol
Exact Mass295.17
IUPAC Name5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine
SMILESCOc1ccccc1-c1nc2c(C)nn(C(C)C)c2cc1C
InChIInChI=1S/C18H21N3O/c1-11(2)21-15-10-12(3)17(19-18(15)13(4)20-21)14-8-6-7-9-16(14)22-5/h6-11H,1-5H3
InChIKeyOSBOOFALLQCYDR-UHFFFAOYSA-N
XLogP4.30
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.39
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine?
The IUPAC name of 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine (CID 142608469) is 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine.
What is the SMILES notation for 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine?
The canonical SMILES for 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine is COc1ccccc1-c1nc2c(C)nn(C(C)C)c2cc1C.
What is the InChIKey of 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine?
The InChIKey is OSBOOFALLQCYDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O/c1-11(2)21-15-10-12(3)17(19-18(15)13(4)20-21)14-8-6-7-9-16(14)22-5/h6-11H,1-5H3.
What are the key properties of 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine?
5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine has a molecular weight of 295.39 g/mol, XLogP of 4.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyphenyl)-3,6-dimethyl-1-propan-2-ylpyrazolo[4,5-b]pyridine is sourced from PubChem (CID 142608469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).