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3-{5-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}phenol

ChemBase ID: 322123
Molecular Formular: C18H20ClN5O
Molecular Mass: 357.8373
Monoisotopic Mass: 357.13563797
SMILES and InChIs

SMILES:
c1(c(n(nc1C)C)Cl)CN1C(c2c([nH]cn2)CC1)c1cc(O)ccc1
Canonical SMILES:
Oc1cccc(c1)C1N(CCc2c1nc[nH]2)Cc1c(C)nn(c1Cl)C
InChI:
InChI=1S/C18H20ClN5O/c1-11-14(18(19)23(2)22-11)9-24-7-6-15-16(21-10-20-15)17(24)12-4-3-5-13(25)8-12/h3-5,8,10,17,25H,6-7,9H2,1-2H3,(H,20,21)
InChIKey:
QFHYVXHJMVHMJX-UHFFFAOYSA-N

Cite this record

CBID:322123 http://www.chembase.cn/molecule-322123.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-{5-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-1H,4H,5H,6H,7H-imidazo[4,5-c]pyridin-4-yl}phenol
IUPAC Traditional name
3-{5-[(5-chloro-1,3-dimethylpyrazol-4-yl)methyl]-1H,4H,6H,7H-imidazo[4,5-c]pyridin-4-yl}phenol
Synonyms
3-{5-[(5-chloro-1,3-dimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridin-4-yl}phenol

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 11244435 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)
Acid pKa 9.385505  H Acceptors
H Donor LogD (pH = 5.5) 1.0655153 
LogD (pH = 7.4) 1.7951021  Log P 1.8444554 
Molar Refractivity 109.583 cm3 Polarizability 37.25826 Å3
Polar Surface Area 69.97 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.01  LOG S -1.08 
Polar Surface Area 69.97 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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