N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide

C24H16F2N6O — CID 171521002

IUPACN-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C#Cc2cc(-c3cnn(CC(F)F)c3)cn3ncc(C#N)c23)cc1
InChIInChI=1S/C24H16F2N6O/c1-2-23(33)30-21-7-4-16(5-8-21)3-6-17-9-18(14-32-24(17)19(10-27)11-29-32)20-12-28-31(13-20)15-22(25)26/h2,4-5,7-9,11-14,22H,1,15H2,(H,30,33)
InChIKeyAXIYODYXZAJHJW-UHFFFAOYSA-N
MW442.43 g/mol
LogP3.86
Rot. Bonds5

About N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide

N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide (PubChem CID 171521002) has the molecular formula C24H16F2N6O and a molecular weight of 442.43 g/mol. Its IUPAC name is N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide
PubChem CID171521002
Molecular FormulaC24H16F2N6O
Molecular Weight442.43 g/mol
Exact Mass442.14
IUPAC NameN-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C#Cc2cc(-c3cnn(CC(F)F)c3)cn3ncc(C#N)c23)cc1
InChIInChI=1S/C24H16F2N6O/c1-2-23(33)30-21-7-4-16(5-8-21)3-6-17-9-18(14-32-24(17)19(10-27)11-29-32)20-12-28-31(13-20)15-22(25)26/h2,4-5,7-9,11-14,22H,1,15H2,(H,30,33)
InChIKeyAXIYODYXZAJHJW-UHFFFAOYSA-N
XLogP3.86
TPSA88.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.43
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[2-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]ethynyl]-2-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-enamide
CID 171521089
N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide
CID 171521006
N-[4-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]piperidin-1-yl]methyl]phenyl]prop-2-enamide
CID 171521032
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-[1-(2-methylpropyl)pyrazol-4-yl]-4-[4-(4-prop-2-enoylpiperazin-1-yl)phenyl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171521166
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
N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide
CID 171521078
4-(2-cyanophenyl)sulfanyl-6-[1-(4-hydroxybutyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 171847754
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
3-butan-2-yl-5-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyridine
CID 70915313
3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid
CID 175708996

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide (CID 171521002) is N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C#Cc2cc(-c3cnn(CC(F)F)c3)cn3ncc(C#N)c23)cc1.
What is the InChIKey of N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide?
The InChIKey is AXIYODYXZAJHJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N6O/c1-2-23(33)30-21-7-4-16(5-8-21)3-6-17-9-18(14-32-24(17)19(10-27)11-29-32)20-12-28-31(13-20)15-22(25)26/h2,4-5,7-9,11-14,22H,1,15H2,(H,30,33).
What are the key properties of N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide?
N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide has a molecular weight of 442.43 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[3-cyano-6-[1-(2,2-difluoroethyl)pyrazol-4-yl]pyrazolo[1,5-a]pyridin-4-yl]ethynyl]phenyl]prop-2-enamide is sourced from PubChem (CID 171521002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).