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4-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-1-methyl-3-(pyridin-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one

ChemBase ID: 322886
Molecular Formular: C20H19N7O
Molecular Mass: 373.41116
Monoisotopic Mass: 373.16510826
SMILES and InChIs

SMILES:
c12c(n(nc1c1cnccc1)C)NC(=O)CC2c1c2n(nc1)c(cc(n2)C)C
Canonical SMILES:
O=C1Nc2n(C)nc(c2C(C1)c1cnn2c1nc(C)cc2C)c1cccnc1
InChI:
InChI=1S/C20H19N7O/c1-11-7-12(2)27-19(23-11)15(10-22-27)14-8-16(28)24-20-17(14)18(25-26(20)3)13-5-4-6-21-9-13/h4-7,9-10,14H,8H2,1-3H3,(H,24,28)
InChIKey:
VOXMNTHAICJCRR-UHFFFAOYSA-N

Cite this record

CBID:322886 http://www.chembase.cn/molecule-322886.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-1-methyl-3-(pyridin-3-yl)-1H,4H,5H,6H,7H-pyrazolo[3,4-b]pyridin-6-one
IUPAC Traditional name
4-{5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl}-1-methyl-3-(pyridin-3-yl)-4H,5H,7H-pyrazolo[3,4-b]pyridin-6-one
Synonyms
4-(5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl)-1-methyl-3-pyridin-3-yl-1,4,5,7-tetrahydro-6H-pyrazolo[3,4-b]pyridin-6-one

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11354091 external link Add to cart
Data Source Data ID Price
ChemBridge
11354091 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
Acid pKa 13.19322  H Acceptors
H Donor LogD (pH = 5.5) 1.2632918 
LogD (pH = 7.4) 1.28043  Log P 1.2806545 
Molar Refractivity 127.0503 cm3 Polarizability 40.1196 Å3
Polar Surface Area 90.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.76  LOG S -3.43 
Polar Surface Area 90.0 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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