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

C28H29N7O — CID 171521166

IUPAC6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(CC(C)C)c4)cn4ncc(C#N)c34)cc2)CC1
InChIInChI=1S/C28H29N7O/c1-4-27(36)33-11-9-32(10-12-33)25-7-5-21(6-8-25)26-13-22(19-35-28(26)23(14-29)15-31-35)24-16-30-34(18-24)17-20(2)3/h4-8,13,15-16,18-20H,1,9-12,17H2,2-3H3
InChIKeyLXQMTAYGVYLNKO-UHFFFAOYSA-N
MW479.59 g/mol
LogP4.23
Rot. Bonds6

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

6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile (PubChem CID 171521166) has the molecular formula C28H29N7O and a molecular weight of 479.59 g/mol. Its IUPAC name is 6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
PubChem CID171521166
Molecular FormulaC28H29N7O
Molecular Weight479.59 g/mol
Exact Mass479.24
IUPAC Name6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
SMILESC=CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(CC(C)C)c4)cn4ncc(C#N)c34)cc2)CC1
InChIInChI=1S/C28H29N7O/c1-4-27(36)33-11-9-32(10-12-33)25-7-5-21(6-8-25)26-13-22(19-35-28(26)23(14-29)15-31-35)24-16-30-34(18-24)17-20(2)3/h4-8,13,15-16,18-20H,1,9-12,17H2,2-3H3
InChIKeyLXQMTAYGVYLNKO-UHFFFAOYSA-N
XLogP4.23
TPSA82.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.59
LogP ≤ 54.23
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-(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
4-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-N-(2-methylpropyl)piperazine-1-carboxamide
CID 126740093
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257
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-[2-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenoxy]ethyl]prop-2-enamide
CID 171521259
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-[6-[4-(2-hydroxy-3-phenylpropanoyl)piperazin-1-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 126740279
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

Frequently Asked Questions

What is the IUPAC name of 6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The IUPAC name of 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) is 6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The canonical SMILES for 6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is C=CC(=O)N1CCN(c2ccc(-c3cc(-c4cnn(CC(C)C)c4)cn4ncc(C#N)c34)cc2)CC1.
What is the InChIKey of 6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
The InChIKey is LXQMTAYGVYLNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N7O/c1-4-27(36)33-11-9-32(10-12-33)25-7-5-21(6-8-25)26-13-22(19-35-28(26)23(14-29)15-31-35)24-16-30-34(18-24)17-20(2)3/h4-8,13,15-16,18-20H,1,9-12,17H2,2-3H3.
What are the key properties of 6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile?
6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile has a molecular weight of 479.59 g/mol, XLogP of 4.23, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile is sourced from PubChem (CID 171521166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).