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N,2-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

ChemBase ID: 370830
Molecular Formular: C20H22N6
Molecular Mass: 346.42888
Monoisotopic Mass: 346.19059473
SMILES and InChIs

SMILES:
n12c(nc(cc1N(CCn1c(ncc1)C)C)c1ccccc1)cc(n2)C
Canonical SMILES:
Cc1nn2c(c1)nc(cc2N(CCn1ccnc1C)C)c1ccccc1
InChI:
InChI=1S/C20H22N6/c1-15-13-19-22-18(17-7-5-4-6-8-17)14-20(26(19)23-15)24(3)11-12-25-10-9-21-16(25)2/h4-10,13-14H,11-12H2,1-3H3
InChIKey:
GGCNUGULLCXESA-UHFFFAOYSA-N

Cite this record

CBID:370830 http://www.chembase.cn/molecule-370830.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N,2-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
IUPAC Traditional name
N,2-dimethyl-N-[2-(2-methylimidazol-1-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine
Synonyms
N,2-dimethyl-N-[2-(2-methyl-1H-imidazol-1-yl)ethyl]-5-phenylpyrazolo[1,5-a]pyrimidin-7-amine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 2.0327344  LogD (pH = 7.4) 2.8033912 
Log P 3.044745  Molar Refractivity 113.1924 cm3
Polarizability 39.869278 Å3 Polar Surface Area 51.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.86  LOG S -4.17 
Polar Surface Area 51.25 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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