3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine

C16H17N3O3 — CID 155565116

IUPAC3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(-c2nccc3n[nH]c(C)c23)cc(OC)c1OC
InChIInChI=1S/C16H17N3O3/c1-9-14-11(19-18-9)5-6-17-15(14)10-7-12(20-2)16(22-4)13(8-10)21-3/h5-8H,1-4H3,(H,18,19)
InChIKeyIVHZWMCEBSPXIZ-UHFFFAOYSA-N
MW299.33 g/mol
LogP2.96
Rot. Bonds4

About 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine

3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine (PubChem CID 155565116) has the molecular formula C16H17N3O3 and a molecular weight of 299.33 g/mol. Its IUPAC name is 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Name3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
PubChem CID155565116
Molecular FormulaC16H17N3O3
Molecular Weight299.33 g/mol
Exact Mass299.13
IUPAC Name3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine
SMILESCOc1cc(-c2nccc3n[nH]c(C)c23)cc(OC)c1OC
InChIInChI=1S/C16H17N3O3/c1-9-14-11(19-18-9)5-6-17-15(14)10-7-12(20-2)16(22-4)13(8-10)21-3/h5-8H,1-4H3,(H,18,19)
InChIKeyIVHZWMCEBSPXIZ-UHFFFAOYSA-N
XLogP2.96
TPSA69.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.33
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine (CID 155565116) is 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine is COc1cc(-c2nccc3n[nH]c(C)c23)cc(OC)c1OC.
What is the InChIKey of 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is IVHZWMCEBSPXIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3/c1-9-14-11(19-18-9)5-6-17-15(14)10-7-12(20-2)16(22-4)13(8-10)21-3/h5-8H,1-4H3,(H,18,19).
What are the key properties of 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine?
3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 299.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(3,4,5-trimethoxyphenyl)-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 155565116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).