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4-{2-cyclobutyl-3H-imidazo[4,5-b]pyridin-3-yl}-1-[5-(4-methoxyphenyl)furan-2-carbonyl]piperidine

ChemBase ID: 321488
Molecular Formular: C27H28N4O3
Molecular Mass: 456.53622
Monoisotopic Mass: 456.21614078
SMILES and InChIs

SMILES:
c1(n(c2c(n1)cccn2)C1CCN(C(=O)c2oc(cc2)c2ccc(cc2)OC)CC1)C1CCC1
Canonical SMILES:
COc1ccc(cc1)c1ccc(o1)C(=O)N1CCC(CC1)n1c(nc2c1nccc2)C1CCC1
InChI:
InChI=1S/C27H28N4O3/c1-33-21-9-7-18(8-10-21)23-11-12-24(34-23)27(32)30-16-13-20(14-17-30)31-25(19-4-2-5-19)29-22-6-3-15-28-26(22)31/h3,6-12,15,19-20H,2,4-5,13-14,16-17H2,1H3
InChIKey:
HIZTVWCSLVWQTC-UHFFFAOYSA-N

Cite this record

CBID:321488 http://www.chembase.cn/molecule-321488.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-{2-cyclobutyl-3H-imidazo[4,5-b]pyridin-3-yl}-1-[5-(4-methoxyphenyl)furan-2-carbonyl]piperidine
IUPAC Traditional name
4-{2-cyclobutylimidazo[4,5-b]pyridin-3-yl}-1-[5-(4-methoxyphenyl)furan-2-carbonyl]piperidine
Synonyms
2-cyclobutyl-3-{1-[5-(4-methoxyphenyl)-2-furoyl]-4-piperidinyl}-3H-imidazo[4,5-b]pyridine

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
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) 3.5573506  LogD (pH = 7.4) 3.5580668 
Log P 3.5580761  Molar Refractivity 128.3624 cm3
Polarizability 50.89502 Å3 Polar Surface Area 73.39 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 3.47  LOG S -7.0 
Polar Surface Area 73.39 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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