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

C27H24N6O2 — CID 171521275

IUPAC6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CCN(c2ccc(-c3cc(-c4ccn(C)c(=O)c4)cn4ncc(C#N)c34)cc2)CC1
InChIInChI=1S/C27H24N6O2/c1-3-25(34)32-12-10-31(11-13-32)23-6-4-19(5-7-23)24-14-21(20-8-9-30(2)26(35)15-20)18-33-27(24)22(16-28)17-29-33/h3-9,14-15,17-18H,1,10-13H2,2H3
InChIKeyOPYIGQPASGBRTA-UHFFFAOYSA-N
MW464.53 g/mol
LogP3.07
Rot. Bonds4

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

6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171521275) has the molecular formula C27H24N6O2 and a molecular weight of 464.53 g/mol. Its IUPAC name is 6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171521275
Molecular FormulaC27H24N6O2
Molecular Weight464.53 g/mol
Exact Mass464.20
IUPAC Name6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CCN(c2ccc(-c3cc(-c4ccn(C)c(=O)c4)cn4ncc(C#N)c34)cc2)CC1
InChIInChI=1S/C27H24N6O2/c1-3-25(34)32-12-10-31(11-13-32)23-6-4-19(5-7-23)24-14-21(20-8-9-30(2)26(35)15-20)18-33-27(24)22(16-28)17-29-33/h3-9,14-15,17-18H,1,10-13H2,2H3
InChIKeyOPYIGQPASGBRTA-UHFFFAOYSA-N
XLogP3.07
TPSA86.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.53
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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
6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521049
6-[2-(3,5-dimethoxyphenyl)ethynyl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521244
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
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-[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
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257
N-[5-[3-cyano-6-[4-(4-methylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridin-4-yl]oxy-2-pyridinyl]prop-2-enamide
CID 171521116
4-[6-[4-(2-methoxyacetyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740252
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-ethyl-N-methylpiperazine-1-carboxamide
CID 126740296
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
6-(1,5-dimethylpyrazol-4-yl)-4-[6-[4-(2-methylbut-3-enoyl)piperazin-1-yl]-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660508

Frequently Asked Questions

What is the IUPAC name of 6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(=O)N1CCN(c2ccc(-c3cc(-c4ccn(C)c(=O)c4)cn4ncc(C#N)c34)cc2)CC1.
What is the InChIKey of 6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is OPYIGQPASGBRTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N6O2/c1-3-25(34)32-12-10-31(11-13-32)23-6-4-19(5-7-23)24-14-21(20-8-9-30(2)26(35)15-20)18-33-27(24)22(16-28)17-29-33/h3-9,14-15,17-18H,1,10-13H2,2H3.
What are the key properties of 6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 464.53 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171521275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).