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3-{5-[2-(pyridin-3-yl)acetyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-(pyrrolidin-1-yl)propan-1-one

ChemBase ID: 460270
Molecular Formular: C20H25N5O2
Molecular Mass: 367.4448
Monoisotopic Mass: 367.20082507
SMILES and InChIs

SMILES:
c12n(nc(c1)CCC(=O)N1CCCC1)CCN(C(=O)Cc1cnccc1)C2
Canonical SMILES:
O=C(N1CCn2c(C1)cc(n2)CCC(=O)N1CCCC1)Cc1cccnc1
InChI:
InChI=1S/C20H25N5O2/c26-19(23-8-1-2-9-23)6-5-17-13-18-15-24(10-11-25(18)22-17)20(27)12-16-4-3-7-21-14-16/h3-4,7,13-14H,1-2,5-6,8-12,15H2
InChIKey:
YUFAJTDWUWZQCD-UHFFFAOYSA-N

Cite this record

CBID:460270 http://www.chembase.cn/molecule-460270.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{5-[2-(pyridin-3-yl)acetyl]-4H,5H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-(pyrrolidin-1-yl)propan-1-one
IUPAC Traditional name
3-{5-[2-(pyridin-3-yl)acetyl]-4H,6H,7H-pyrazolo[1,5-a]pyrazin-2-yl}-1-(pyrrolidin-1-yl)propan-1-one
Synonyms
2-[3-oxo-3-(1-pyrrolidinyl)propyl]-5-(3-pyridinylacetyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem 供应商提供(Chembridge)
H Acceptors H Donor
LogD (pH = 5.5) -0.14410125  LogD (pH = 7.4) -0.06416701 
Log P -0.06301955  Molar Refractivity 112.8902 cm3
Polarizability 38.897648 Å3 Polar Surface Area 71.33 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.33  LOG S -1.61 
Polar Surface Area 71.33 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

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