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(1R,5S)-6-[5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-6-azabicyclo[3.2.1]octane

ChemBase ID: 470638
Molecular Formular: C18H19N5
Molecular Mass: 305.37696
Monoisotopic Mass: 305.16404563
SMILES and InChIs

SMILES:
c1(n2c(nc(c1)c1ccncc1)ccn2)N1[C@@H]2C[C@H](C1)CCC2
Canonical SMILES:
C1C[C@@H]2C[C@H](C1)N(C2)c1cc(nc2n1ncc2)c1ccncc1
InChI:
InChI=1S/C18H19N5/c1-2-13-10-15(3-1)22(12-13)18-11-16(14-4-7-19-8-5-14)21-17-6-9-20-23(17)18/h4-9,11,13,15H,1-3,10,12H2/t13-,15+/m1/s1
InChIKey:
GCMFKCIFMMZRMX-HIFRSBDPSA-N

Cite this record

CBID:470638 http://www.chembase.cn/molecule-470638.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(1R,5S)-6-[5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-6-azabicyclo[3.2.1]octane
IUPAC Traditional name
(1R,5S)-6-[5-(pyridin-4-yl)pyrazolo[1,5-a]pyrimidin-7-yl]-6-azabicyclo[3.2.1]octane
Synonyms
7-[(1R*,5S*)-6-azabicyclo[3.2.1]oct-6-yl]-5-(4-pyridinyl)pyrazolo[1,5-a]pyrimidine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 33988965 external link Add to cart
Data Source Data ID Price
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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) 2.9026113  LogD (pH = 7.4) 2.9117348 
Log P 2.9118526  Molar Refractivity 99.216 cm3
Polarizability 35.0241 Å3 Polar Surface Area 46.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.43  LOG S -3.5 
Polar Surface Area 46.32 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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