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

C27H27N7O — CID 171521328

IUPAC4-[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
SMILESC=CC(=O)N1C[C@@H](C)N(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2)C[C@@H]1C
InChIInChI=1S/C27H27N7O/c1-5-26(35)33-15-18(2)32(14-19(33)3)24-8-6-20(7-9-24)25-10-21(23-13-29-31(4)16-23)17-34-27(25)22(11-28)12-30-34/h5-10,12-13,16-19H,1,14-15H2,2-4H3/t18-,19+/m1/s1
InChIKeyGUSLPVVASQGTSC-MOPGFXCFSA-N
MW465.56 g/mol
LogP3.89
Rot. Bonds4

About 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

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 (PubChem CID 171521328) has the molecular formula C27H27N7O and a molecular weight of 465.56 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID171521328
Molecular FormulaC27H27N7O
Molecular Weight465.56 g/mol
Exact Mass465.23
IUPAC Name4-[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
SMILESC=CC(=O)N1C[C@@H](C)N(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2)C[C@@H]1C
InChIInChI=1S/C27H27N7O/c1-5-26(35)33-15-18(2)32(14-19(33)3)24-8-6-20(7-9-24)25-10-21(23-13-29-31(4)16-23)17-34-27(25)22(11-28)12-30-34/h5-10,12-13,16-19H,1,14-15H2,2-4H3/t18-,19+/m1/s1
InChIKeyGUSLPVVASQGTSC-MOPGFXCFSA-N
XLogP3.89
TPSA82.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.56
LogP ≤ 53.89
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-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
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
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257
N-[2-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenoxy]ethyl]prop-2-enamide
CID 171521259
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-(1-methyl-2-oxo-4-pyridinyl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521275
N-[7-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-9H-fluoren-2-yl]prop-2-enamide
CID 171521274
6-(3-cyanoazetidin-1-yl)-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521049
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-methylpyrazol-4-yl)-4-[6-(1-prop-2-ynoylpiperidin-4-yl)-3-pyridinyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 146660411
N-[8-[5-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]-2-pyridinyl]-3-bicyclo[3.2.1]octanyl]prop-2-ynamide
CID 164754995
4-[6-[(1R,5S)-6-amino-3-azabicyclo[3.1.0]hexan-3-yl]-3-pyridinyl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile;hydrochloride
CID 155388164

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C=CC(=O)N1C[C@@H](C)N(c2ccc(-c3cc(-c4cnn(C)c4)cn4ncc(C#N)c34)cc2)C[C@@H]1C.
What is the InChIKey of 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?
The InChIKey is GUSLPVVASQGTSC-MOPGFXCFSA-N. The full InChI is InChI=1S/C27H27N7O/c1-5-26(35)33-15-18(2)32(14-19(33)3)24-8-6-20(7-9-24)25-10-21(23-13-29-31(4)16-23)17-34-27(25)22(11-28)12-30-34/h5-10,12-13,16-19H,1,14-15H2,2-4H3/t18-,19+/m1/s1.
What are the key properties of 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?
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 has a molecular weight of 465.56 g/mol, XLogP of 3.89, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 171521328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).