4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine

C20H16N2O — CID 135250258

IUPAC4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine
SMILESCc1cccn2ncc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C20H16N2O/c1-15-6-5-13-22-20(15)19(14-21-22)16-9-11-18(12-10-16)23-17-7-3-2-4-8-17/h2-14H,1H3
InChIKeyKVFDDBMJKJKGTA-UHFFFAOYSA-N
MW300.36 g/mol
LogP5.10
Rot. Bonds3

About 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine

4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine (PubChem CID 135250258) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine.

Molecular Properties

Compound Name4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine
PubChem CID135250258
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine
SMILESCc1cccn2ncc(-c3ccc(Oc4ccccc4)cc3)c12
InChIInChI=1S/C20H16N2O/c1-15-6-5-13-22-20(15)19(14-21-22)16-9-11-18(12-10-16)23-17-7-3-2-4-8-17/h2-14H,1H3
InChIKeyKVFDDBMJKJKGTA-UHFFFAOYSA-N
XLogP5.10
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500300.36
LogP ≤ 55.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine?
The IUPAC name of 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine (CID 135250258) is 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine.
What is the SMILES notation for 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine?
The canonical SMILES for 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine is Cc1cccn2ncc(-c3ccc(Oc4ccccc4)cc3)c12.
What is the InChIKey of 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine?
The InChIKey is KVFDDBMJKJKGTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-15-6-5-13-22-20(15)19(14-21-22)16-9-11-18(12-10-16)23-17-7-3-2-4-8-17/h2-14H,1H3.
What are the key properties of 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine?
4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine has a molecular weight of 300.36 g/mol, XLogP of 5.10, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-(4-phenoxyphenyl)pyrazolo[1,5-a]pyridine is sourced from PubChem (CID 135250258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).