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1-(3-methoxybenzoyl)-4-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}piperazine

ChemBase ID: 370874
Molecular Formular: C20H21N5O3
Molecular Mass: 379.41244
Monoisotopic Mass: 379.16443956
SMILES and InChIs

SMILES:
c1(c(n2c(nc1)ccn2)C)C(=O)N1CCN(C(=O)c2cc(OC)ccc2)CC1
Canonical SMILES:
COc1cccc(c1)C(=O)N1CCN(CC1)C(=O)c1cnc2n(c1C)ncc2
InChI:
InChI=1S/C20H21N5O3/c1-14-17(13-21-18-6-7-22-25(14)18)20(27)24-10-8-23(9-11-24)19(26)15-4-3-5-16(12-15)28-2/h3-7,12-13H,8-11H2,1-2H3
InChIKey:
MMBRHVPMAWAICQ-UHFFFAOYSA-N

Cite this record

CBID:370874 http://www.chembase.cn/molecule-370874.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1-(3-methoxybenzoyl)-4-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}piperazine
IUPAC Traditional name
1-(3-methoxybenzoyl)-4-{7-methylpyrazolo[1,5-a]pyrimidine-6-carbonyl}piperazine
Synonyms
6-{[4-(3-methoxybenzoyl)-1-piperazinyl]carbonyl}-7-methylpyrazolo[1,5-a]pyrimidine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 18334845 external link Add to cart
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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) 0.9210051  LogD (pH = 7.4) 0.921043 
Log P 0.92104346  Molar Refractivity 115.2501 cm3
Polarizability 38.61282 Å3 Polar Surface Area 80.04 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 0.25  LOG S -3.49 
Polar Surface Area 80.04 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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