N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide

C20H22N6O — CID 171046377

IUPACN-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide
SMILESC=CC(=O)NC12CCC(Cc3nc(-c4cnn(C)c4)cn4nccc34)(C1)C2
InChIInChI=1S/C20H22N6O/c1-3-18(27)24-20-6-5-19(12-20,13-20)8-15-17-4-7-21-26(17)11-16(23-15)14-9-22-25(2)10-14/h3-4,7,9-11H,1,5-6,8,12-13H2,2H3,(H,24,27)
InChIKeyYHNJHPKJYALYFQ-UHFFFAOYSA-N
MW362.44 g/mol
LogP2.29
Rot. Bonds5

About N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide

N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide (PubChem CID 171046377) has the molecular formula C20H22N6O and a molecular weight of 362.44 g/mol. Its IUPAC name is N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide.

Molecular Properties

Compound NameN-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide
PubChem CID171046377
Molecular FormulaC20H22N6O
Molecular Weight362.44 g/mol
Exact Mass362.19
IUPAC NameN-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide
SMILESC=CC(=O)NC12CCC(Cc3nc(-c4cnn(C)c4)cn4nccc34)(C1)C2
InChIInChI=1S/C20H22N6O/c1-3-18(27)24-20-6-5-19(12-20,13-20)8-15-17-4-7-21-26(17)11-16(23-15)14-9-22-25(2)10-14/h3-4,7,9-11H,1,5-6,8,12-13H2,2H3,(H,24,27)
InChIKeyYHNJHPKJYALYFQ-UHFFFAOYSA-N
XLogP2.29
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide with MolForge

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Related Compounds

N-[2,2-dimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
CID 163301909
N-methyl-N-[(1R,3S)-3-methyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]prop-2-enamide
CID 168886476
N-methyl-N-[(1S,3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclopentyl]prop-2-enamide
CID 163302325
1-[3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]prop-2-en-1-one
CID 167070902
1-[6-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxymethyl]-3-azabicyclo[3.1.1]heptan-3-yl]prop-2-en-1-one
CID 163301823
N-methyl-N-[(1R,3S)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]cyclohexyl]prop-2-enamide
CID 177078468
ethane;N-methyl-N-[[(1R)-2-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]methyl]prop-2-enamide
CID 163301389
1-[(3R)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-6-azabicyclo[3.2.0]heptan-6-yl]prop-2-en-1-one
CID 163301693
1-[(1S,3R,5S)-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxy-6-azabicyclo[3.2.0]heptan-6-yl]prop-2-en-1-one
CID 169221612
1-[(4S)-4-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxyazepan-1-yl]ethanone
CID 163302299
cyclopentane;N,N-dimethylprop-2-enamide;6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazine
CID 168886482
N,2,3-trimethyl-3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutan-1-amine;hydrochloride
CID 171046390

Frequently Asked Questions

What is the IUPAC name of N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide?
The IUPAC name of N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide (CID 171046377) is N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide.
What is the SMILES notation for N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide?
The canonical SMILES for N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide is C=CC(=O)NC12CCC(Cc3nc(-c4cnn(C)c4)cn4nccc34)(C1)C2.
What is the InChIKey of N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide?
The InChIKey is YHNJHPKJYALYFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O/c1-3-18(27)24-20-6-5-19(12-20,13-20)8-15-17-4-7-21-26(17)11-16(23-15)14-9-22-25(2)10-14/h3-4,7,9-11H,1,5-6,8,12-13H2,2H3,(H,24,27).
What are the key properties of N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide?
N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide has a molecular weight of 362.44 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]methyl]-1-bicyclo[2.1.1]hexanyl]prop-2-enamide is sourced from PubChem (CID 171046377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).