2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid

C25H32N2O6 — CID 167035739

IUPAC2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1cc(C(O)C(Cc2cc3cc(C)cc(C(=O)O)n3n2)OCC(C)C)cc(OC)c1C
InChIInChI=1S/C25H32N2O6/c1-14(2)13-33-23(24(28)17-9-21(31-5)16(4)22(10-17)32-6)12-18-11-19-7-15(3)8-20(25(29)30)27(19)26-18/h7-11,14,23-24,28H,12-13H2,1-6H3,(H,29,30)
InChIKeyWCOODUMCQUIHGB-UHFFFAOYSA-N
MW456.54 g/mol
LogP3.98
Rot. Bonds10

About 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid

2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid (PubChem CID 167035739) has the molecular formula C25H32N2O6 and a molecular weight of 456.54 g/mol. Its IUPAC name is 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid.

Molecular Properties

Compound Name2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid
PubChem CID167035739
Molecular FormulaC25H32N2O6
Molecular Weight456.54 g/mol
Exact Mass456.23
IUPAC Name2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid
SMILESCOc1cc(C(O)C(Cc2cc3cc(C)cc(C(=O)O)n3n2)OCC(C)C)cc(OC)c1C
InChIInChI=1S/C25H32N2O6/c1-14(2)13-33-23(24(28)17-9-21(31-5)16(4)22(10-17)32-6)12-18-11-19-7-15(3)8-20(25(29)30)27(19)26-18/h7-11,14,23-24,28H,12-13H2,1-6H3,(H,29,30)
InChIKeyWCOODUMCQUIHGB-UHFFFAOYSA-N
XLogP3.98
TPSA102.52 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.54
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid?
The IUPAC name of 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid (CID 167035739) is 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid.
What is the SMILES notation for 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid?
The canonical SMILES for 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid is COc1cc(C(O)C(Cc2cc3cc(C)cc(C(=O)O)n3n2)OCC(C)C)cc(OC)c1C.
What is the InChIKey of 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid?
The InChIKey is WCOODUMCQUIHGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N2O6/c1-14(2)13-33-23(24(28)17-9-21(31-5)16(4)22(10-17)32-6)12-18-11-19-7-15(3)8-20(25(29)30)27(19)26-18/h7-11,14,23-24,28H,12-13H2,1-6H3,(H,29,30).
What are the key properties of 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid?
2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid has a molecular weight of 456.54 g/mol, XLogP of 3.98, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethoxy-4-methylphenyl)-3-hydroxy-2-(2-methylpropoxy)propyl]-5-methylpyrazolo[1,5-a]pyridine-7-carboxylic acid is sourced from PubChem (CID 167035739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).