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

C20H15N7O2 — CID 171521078

IUPACN-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Oc2nc(-c3cnn(C)c3)cn3ncc(C#N)c23)c1
InChIInChI=1S/C20H15N7O2/c1-3-18(28)24-15-5-4-6-16(7-15)29-20-19-13(8-21)9-23-27(19)12-17(25-20)14-10-22-26(2)11-14/h3-7,9-12H,1H2,2H3,(H,24,28)
InChIKeyIVLJDRGJAZQBDV-UHFFFAOYSA-N
MW385.39 g/mol
LogP2.92
Rot. Bonds5

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

N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide (PubChem CID 171521078) has the molecular formula C20H15N7O2 and a molecular weight of 385.39 g/mol. Its IUPAC name is N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide.

Molecular Properties

Compound NameN-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide
PubChem CID171521078
Molecular FormulaC20H15N7O2
Molecular Weight385.39 g/mol
Exact Mass385.13
IUPAC NameN-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide
SMILESC=CC(=O)Nc1cccc(Oc2nc(-c3cnn(C)c3)cn3ncc(C#N)c23)c1
InChIInChI=1S/C20H15N7O2/c1-3-18(28)24-15-5-4-6-16(7-15)29-20-19-13(8-21)9-23-27(19)12-17(25-20)14-10-22-26(2)11-14/h3-7,9-12H,1H2,2H3,(H,24,28)
InChIKeyIVLJDRGJAZQBDV-UHFFFAOYSA-N
XLogP2.92
TPSA110.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridine-4-carbonyl]phenyl]prop-2-enamide
CID 171521006
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-[2-[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenoxy]ethyl]prop-2-enamide
CID 171521259
N-[[4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]phenyl]methyl]prop-2-enamide
CID 171521257
tert-butyl (4R)-4-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepane-1-carboxylate
CID 163301459
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-methylpyrazol-4-yl)pyrazolo[1,5-a]pyridin-4-yl]ethynyl]-2-[2-(dimethylamino)ethyl-methylamino]phenyl]prop-2-enamide
CID 171521089
4-[(4R)-azepan-4-yl]oxy-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine-3-carbonitrile
CID 163302265
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
N-[3-[5-(2-phenylethynyl)pyrimidin-4-yl]oxyphenyl]prop-2-enamide
CID 156767035
N-[3-[2-(4-methoxyanilino)pyrrolo[2,1-f][1,2,4]triazin-4-yl]oxyphenyl]prop-2-enamide
CID 135329617

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide?
The IUPAC name of N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide (CID 171521078) is N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide.
What is the SMILES notation for N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide?
The canonical SMILES for N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide is C=CC(=O)Nc1cccc(Oc2nc(-c3cnn(C)c3)cn3ncc(C#N)c23)c1.
What is the InChIKey of N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide?
The InChIKey is IVLJDRGJAZQBDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N7O2/c1-3-18(28)24-15-5-4-6-16(7-15)29-20-19-13(8-21)9-23-27(19)12-17(25-20)14-10-22-26(2)11-14/h3-7,9-12H,1H2,2H3,(H,24,28).
What are the key properties of N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide?
N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide has a molecular weight of 385.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-cyano-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyphenyl]prop-2-enamide is sourced from PubChem (CID 171521078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).