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N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine

ChemBase ID: 323644
Molecular Formular: C18H24N6O
Molecular Mass: 340.42276
Monoisotopic Mass: 340.20115942
SMILES and InChIs

SMILES:
c1(c(nn(c1)C)C)CN(c1ncc(c2nc(no2)CC(C)C)cc1)C
Canonical SMILES:
CC(Cc1noc(n1)c1ccc(nc1)N(Cc1cn(nc1C)C)C)C
InChI:
InChI=1S/C18H24N6O/c1-12(2)8-16-20-18(25-22-16)14-6-7-17(19-9-14)23(4)10-15-11-24(5)21-13(15)3/h6-7,9,11-12H,8,10H2,1-5H3
InChIKey:
KQCHILYBMYFOMI-UHFFFAOYSA-N

Cite this record

CBID:323644 http://www.chembase.cn/molecule-323644.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
IUPAC Traditional name
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-5-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]pyridin-2-amine
Synonyms
N-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-5-(3-isobutyl-1,2,4-oxadiazol-5-yl)-N-methyl-2-pyridinamine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11462364 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) 3.5156488  LogD (pH = 7.4) 3.597277 
Log P 3.5984268  Molar Refractivity 120.8693 cm3
Polarizability 36.850395 Å3 Polar Surface Area 72.87 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.78  LOG S -4.94 
Polar Surface Area 72.87 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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