6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

C22H17BrN8O2 — CID 158548312

IUPAC6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12.COc1cc(Br)cn2ncc(C#N)c12
InChIInChI=1S/C13H11N5O.C9H6BrN3O/c1-17-7-11(6-15-17)9-3-12(19-2)13-10(4-14)5-16-18(13)8-9;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13/h3,5-8H,1-2H3;2,4-5H,1H3
InChIKeyHPKDAAQPEZWQMP-UHFFFAOYSA-N
MW505.34 g/mol
LogP3.59
Rot. Bonds3

About 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile

6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 158548312) has the molecular formula C22H17BrN8O2 and a molecular weight of 505.34 g/mol. Its IUPAC name is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID158548312
Molecular FormulaC22H17BrN8O2
Molecular Weight505.34 g/mol
Exact Mass504.07
IUPAC Name6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESCOc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12.COc1cc(Br)cn2ncc(C#N)c12
InChIInChI=1S/C13H11N5O.C9H6BrN3O/c1-17-7-11(6-15-17)9-3-12(19-2)13-10(4-14)5-16-18(13)8-9;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13/h3,5-8H,1-2H3;2,4-5H,1H3
InChIKeyHPKDAAQPEZWQMP-UHFFFAOYSA-N
XLogP3.59
TPSA118.46 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500505.34
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[1-[1-[(6-Methoxy-3-pyridinyl)methyl]piperidin-4-yl]pyrazol-4-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 156546642
US12180207, Example 183
CID 148691765
US12180207, Example 30
CID 153619579
US12180207, Example 182
CID 153619779
6-Bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 58404898
4-Bromo-6-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile
CID 86346373
3-[2-[1-(4-Fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 58404625
3-[2-[1-(2-Fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 58404705
3-[2-(6-Fluoro-3-pyridinyl)ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 58404804
3-[2-[1-(4-Fluorophenyl)-3-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 58404852
3-[2-[1-(2-Fluorophenyl)-5-methylpyrazol-4-yl]ethynyl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 58404884
3-[1-(2-Fluoro-3-pyridinyl)triazol-4-yl]-4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine
CID 58404917

Frequently Asked Questions

What is the IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 158548312) is 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is COc1cc(-c2cnn(C)c2)cn2ncc(C#N)c12.COc1cc(Br)cn2ncc(C#N)c12.
What is the InChIKey of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is HPKDAAQPEZWQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O.C9H6BrN3O/c1-17-7-11(6-15-17)9-3-12(19-2)13-10(4-14)5-16-18(13)8-9;1-14-8-2-7(10)5-13-9(8)6(3-11)4-12-13/h3,5-8H,1-2H3;2,4-5H,1H3.
What are the key properties of 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 505.34 g/mol, XLogP of 3.59, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-4-methoxypyrazolo[1,5-a]pyridine-3-carbonitrile;4-methoxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 158548312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).