4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

C18H16FN3O2 — CID 150009888

IUPAC4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(F)cc2)c2c(C#N)cnn2c1
InChIInChI=1S/C18H16FN3O2/c1-18(2,23)11-24-15-7-16(12-3-5-14(19)6-4-12)17-13(8-20)9-21-22(17)10-15/h3-7,9-10,23H,11H2,1-2H3
InChIKeyDDAZJIPENZYIKX-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.16
Rot. Bonds4

About 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile

4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 150009888) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID150009888
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(F)cc2)c2c(C#N)cnn2c1
InChIInChI=1S/C18H16FN3O2/c1-18(2,23)11-24-15-7-16(12-3-5-14(19)6-4-12)17-13(8-20)9-21-22(17)10-15/h3-7,9-10,23H,11H2,1-2H3
InChIKeyDDAZJIPENZYIKX-UHFFFAOYSA-N
XLogP3.16
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 150009888) is 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(F)cc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is DDAZJIPENZYIKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c1-18(2,23)11-24-15-7-16(12-3-5-14(19)6-4-12)17-13(8-20)9-21-22(17)10-15/h3-7,9-10,23H,11H2,1-2H3.
What are the key properties of 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 325.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 150009888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).