N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide

C22H16N6O2 — CID 171521006

IUPACN-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cc1
InChIInChI=1S/C22H16N6O2/c1-3-20(29)26-18-6-4-14(5-7-18)22(30)19-8-15(17-11-24-27(2)12-17)13-28-21(19)16(9-23)10-25-28/h3-8,10-13H,1H2,2H3,(H,26,29)
InChIKeyWDYCPRJNINIHSH-UHFFFAOYSA-N
MW396.41 g/mol
LogP2.96
Rot. Bonds5

About N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide

N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide (PubChem CID 171521006) has the molecular formula C22H16N6O2 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide
PubChem CID171521006
Molecular FormulaC22H16N6O2
Molecular Weight396.41 g/mol
Exact Mass396.13
IUPAC NameN-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide
SMILESC=CC(=O)Nc1ccc(C(=O)c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cc1
InChIInChI=1S/C22H16N6O2/c1-3-20(29)26-18-6-4-14(5-7-18)22(30)19-8-15(17-11-24-27(2)12-17)13-28-21(19)16(9-23)10-25-28/h3-8,10-13H,1H2,2H3,(H,26,29)
InChIKeyWDYCPRJNINIHSH-UHFFFAOYSA-N
XLogP2.96
TPSA105.08 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
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-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide
CID 171521078
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-[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-[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
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-7-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-5-yl]phenyl]prop-2-enamide
CID 171521019
4-[(2E,4Z)-5-(methylideneamino)-5-[4-(morpholine-4-carbonyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 135177550
3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]azetidine-1-carboxylic acid
CID 175708996
4-[(2E,4Z)-5-(methylideneamino)-5-[4-(2-oxo-2-pyrrolidin-1-ylethyl)piperazin-1-yl]penta-2,4-dien-2-yl]-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-3-carbonitrile
CID 135178512

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide?
The IUPAC name of N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide (CID 171521006) is N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide.
What is the SMILES notation for N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide?
The canonical SMILES for N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide is C=CC(=O)Nc1ccc(C(=O)c2cc(-c3cnn(C)c3)cn3ncc(C#N)c23)cc1.
What is the InChIKey of N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide?
The InChIKey is WDYCPRJNINIHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N6O2/c1-3-20(29)26-18-6-4-14(5-7-18)22(30)19-8-15(17-11-24-27(2)12-17)13-28-21(19)16(9-23)10-25-28/h3-8,10-13H,1H2,2H3,(H,26,29).
What are the key properties of N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide?
N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide has a molecular weight of 396.41 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide is sourced from PubChem (CID 171521006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).