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2-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]pyrimidin-4-amine

ChemBase ID: 470265
Molecular Formular: C17H18N6O
Molecular Mass: 322.36442
Monoisotopic Mass: 322.15420923
SMILES and InChIs

SMILES:
n1c2c([nH]c1c1ccc(cc1)OC)CCN(c1nc(ccn1)N)C2
Canonical SMILES:
COc1ccc(cc1)c1nc2c([nH]1)CCN(C2)c1nccc(n1)N
InChI:
InChI=1S/C17H18N6O/c1-24-12-4-2-11(3-5-12)16-20-13-7-9-23(10-14(13)21-16)17-19-8-6-15(18)22-17/h2-6,8H,7,9-10H2,1H3,(H,20,21)(H2,18,19,22)
InChIKey:
AELNXESMSHUYSU-UHFFFAOYSA-N

Cite this record

CBID:470265 http://www.chembase.cn/molecule-470265.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-[2-(4-methoxyphenyl)-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-5-yl]pyrimidin-4-amine
IUPAC Traditional name
2-[2-(4-methoxyphenyl)-1H,4H,6H,7H-imidazo[4,5-c]pyridin-5-yl]pyrimidin-4-amine
Synonyms
2-[2-(4-methoxyphenyl)-1,4,6,7-tetrahydro-5H-imidazo[4,5-c]pyridin-5-yl]pyrimidin-4-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)
Acid pKa 12.314443  H Acceptors
H Donor LogD (pH = 5.5) 0.13701269 
LogD (pH = 7.4) 1.7081704  Log P 1.887859 
Molar Refractivity 104.0183 cm3 Polarizability 34.714607 Å3
Polar Surface Area 92.95 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.87  LOG S -4.0 
Polar Surface Area 92.95 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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