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4-[1,3-dimethyl-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-(2-methoxyethyl)morpholine

ChemBase ID: 322395
Molecular Formular: C19H24N6O2
Molecular Mass: 368.43286
Monoisotopic Mass: 368.19607404
SMILES and InChIs

SMILES:
c12c(c(nc(n1)c1ccncc1)N1CC(OCC1)CCOC)c(nn2C)C
Canonical SMILES:
COCCC1OCCN(C1)c1nc(nc2c1c(C)nn2C)c1ccncc1
InChI:
InChI=1S/C19H24N6O2/c1-13-16-18(24(2)23-13)21-17(14-4-7-20-8-5-14)22-19(16)25-9-11-27-15(12-25)6-10-26-3/h4-5,7-8,15H,6,9-12H2,1-3H3
InChIKey:
MUTPEPKAEAGWNY-UHFFFAOYSA-N

Cite this record

CBID:322395 http://www.chembase.cn/molecule-322395.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-[1,3-dimethyl-6-(pyridin-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]-2-(2-methoxyethyl)morpholine
IUPAC Traditional name
4-[1,3-dimethyl-6-(pyridin-4-yl)pyrazolo[3,4-d]pyrimidin-4-yl]-2-(2-methoxyethyl)morpholine
Synonyms
4-[2-(2-methoxyethyl)-4-morpholinyl]-1,3-dimethyl-6-(4-pyridinyl)-1H-pyrazolo[3,4-d]pyrimidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) 1.6930417  LogD (pH = 7.4) 1.7076465 
Log P 1.7078356  Molar Refractivity 125.1474 cm3
Polarizability 39.779102 Å3 Polar Surface Area 78.19 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.21  LOG S -3.38 
Polar Surface Area 78.19 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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