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1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine

ChemBase ID: 370530
Molecular Formular: C20H26N6O2
Molecular Mass: 382.45944
Monoisotopic Mass: 382.2117241
SMILES and InChIs

SMILES:
c12n(nc(c1)C(=O)N1CCC(c3n(ccn3)CCOC)CC1)c(cc(n2)C)C
Canonical SMILES:
COCCn1ccnc1C1CCN(CC1)C(=O)c1nn2c(c1)nc(cc2C)C
InChI:
InChI=1S/C20H26N6O2/c1-14-12-15(2)26-18(22-14)13-17(23-26)20(27)25-7-4-16(5-8-25)19-21-6-9-24(19)10-11-28-3/h6,9,12-13,16H,4-5,7-8,10-11H2,1-3H3
InChIKey:
GHBDVVXWKZUGTO-UHFFFAOYSA-N

Cite this record

CBID:370530 http://www.chembase.cn/molecule-370530.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidine
IUPAC Traditional name
1-{5,7-dimethylpyrazolo[1,5-a]pyrimidine-2-carbonyl}-4-[1-(2-methoxyethyl)imidazol-2-yl]piperidine
Synonyms
2-({4-[1-(2-methoxyethyl)-1H-imidazol-2-yl]piperidin-1-yl}carbonyl)-5,7-dimethylpyrazolo[1,5-a]pyrimidine

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) 0.44632575  LogD (pH = 7.4) 1.0892448 
Log P 1.1187443  Molar Refractivity 117.1465 cm3
Polarizability 39.81094 Å3 Polar Surface Area 77.55 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P -0.4  LOG S -2.96 
Polar Surface Area 77.55 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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