6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

C25H23N7O — CID 171521049

IUPAC6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CCN(c2ccc(-c3cc(N4CC(C#N)C4)cn4ncc(C#N)c34)cc2)CC1
InChIInChI=1S/C25H23N7O/c1-2-24(33)30-9-7-29(8-10-30)21-5-3-19(4-6-21)23-11-22(31-15-18(12-26)16-31)17-32-25(23)20(13-27)14-28-32/h2-6,11,14,17-18H,1,7-10,15-16H2
InChIKeyGHBYIGZILAECGK-UHFFFAOYSA-N
MW437.51 g/mol
LogP2.67
Rot. Bonds4

About 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile

6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171521049) has the molecular formula C25H23N7O and a molecular weight of 437.51 g/mol. Its IUPAC name is 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171521049
Molecular FormulaC25H23N7O
Molecular Weight437.51 g/mol
Exact Mass437.20
IUPAC Name6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CCN(c2ccc(-c3cc(N4CC(C#N)C4)cn4ncc(C#N)c34)cc2)CC1
InChIInChI=1S/C25H23N7O/c1-2-24(33)30-9-7-29(8-10-30)21-5-3-19(4-6-21)23-11-22(31-15-18(12-26)16-31)17-32-25(23)20(13-27)14-28-32/h2-6,11,14,17-18H,1,7-10,15-16H2
InChIKeyGHBYIGZILAECGK-UHFFFAOYSA-N
XLogP2.67
TPSA91.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.51
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521275
6-[2-(3,5-dimethoxyphenyl)ethynyl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521244
6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521166
4-[4-[(2R,5S)-2,5-dimethyl-4-prop-2-enoylpiperazin-1-yl]phenyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521328
6-(1-methylpyrazol-4-yl)-4-[4-[(1R,4R)-5-prop-2-enoyl-2,5-diazabicyclo[2.2.1]heptan-2-yl]phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521120
4-[6-(4-formylpiperidin-1-yl)-3-pyridinyl]-6-pyrrolidin-1-ylpyrazolo[1,5-a]pyridine-3-carbonitrile
CID 166966755
N-[1-[4-[3-cyano-6-[1-(oxan-4-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]phenyl]azetidin-3-yl]-N-methylprop-2-enamide
CID 171521114
N-[1-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]-3-methylazetidin-3-yl]prop-2-enamide
CID 171521008
4-methoxy-6-[5-methyl-1-(1-prop-2-enoylazetidin-3-yl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171074750
tert-butyl 4-[5-(6-bromo-3-cyanopyrazolo[1,5-a]pyridin-4-yl)-2-pyridinyl]piperazine-1-carboxylate
CID 155181405
[1-[4-(3-cyano-6-ethoxypyrazolo[1,5-a]pyridin-4-yl)phenyl]-4-formylpiperidin-4-yl]carbamic acid
CID 134496858
6-ethoxy-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146668378

Frequently Asked Questions

What is the IUPAC name of 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (CID 171521049) is 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(=O)N1CCN(c2ccc(-c3cc(N4CC(C#N)C4)cn4ncc(C#N)c34)cc2)CC1.
What is the InChIKey of 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is GHBYIGZILAECGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N7O/c1-2-24(33)30-9-7-29(8-10-30)21-5-3-19(4-6-21)23-11-22(31-15-18(12-26)16-31)17-32-25(23)20(13-27)14-28-32/h2-6,11,14,17-18H,1,7-10,15-16H2.
What are the key properties of 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 437.51 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171521049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).