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

C17H15BrN4O2 — CID 162495668

IUPAC4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(Br)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C17H15BrN4O2/c1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-7-11)16-12(6-19)8-21-22(16)9-13/h3-5,7-9,23H,10H2,1-2H3
InChIKeyNQKZOSUQPAUSNL-UHFFFAOYSA-N
MW387.24 g/mol
LogP3.18
Rot. Bonds4

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

4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 162495668) has the molecular formula C17H15BrN4O2 and a molecular weight of 387.24 g/mol. Its IUPAC name is 4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID162495668
Molecular FormulaC17H15BrN4O2
Molecular Weight387.24 g/mol
Exact Mass386.04
IUPAC Name4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCC(C)(O)COc1cc(-c2ccc(Br)nc2)c2c(C#N)cnn2c1
InChIInChI=1S/C17H15BrN4O2/c1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-7-11)16-12(6-19)8-21-22(16)9-13/h3-5,7-9,23H,10H2,1-2H3
InChIKeyNQKZOSUQPAUSNL-UHFFFAOYSA-N
XLogP3.18
TPSA83.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 162495668) is 4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is CC(C)(O)COc1cc(-c2ccc(Br)nc2)c2c(C#N)cnn2c1.
What is the InChIKey of 4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is NQKZOSUQPAUSNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4O2/c1-17(2,23)10-24-13-5-14(11-3-4-15(18)20-7-11)16-12(6-19)8-21-22(16)9-13/h3-5,7-9,23H,10H2,1-2H3.
What are the key properties of 4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile?
4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 387.24 g/mol, XLogP of 3.18, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-bromo-3-pyridinyl)-6-(2-hydroxy-2-methylpropoxy)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 162495668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).