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4-(1-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl)morpholine

ChemBase ID: 340150
Molecular Formular: C26H26N6O3
Molecular Mass: 470.52304
Monoisotopic Mass: 470.20663872
SMILES and InChIs

SMILES:
c1(c2c(n(n1)Cc1ccccc1)CCN(C(=O)c1nc3n(c1)cccc3)C2)C(=O)N1CCOCC1
Canonical SMILES:
O=C(c1nc2n(c1)cccc2)N1CCc2c(C1)c(nn2Cc1ccccc1)C(=O)N1CCOCC1
InChI:
InChI=1S/C26H26N6O3/c33-25(21-18-30-10-5-4-8-23(30)27-21)31-11-9-22-20(17-31)24(26(34)29-12-14-35-15-13-29)28-32(22)16-19-6-2-1-3-7-19/h1-8,10,18H,9,11-17H2
InChIKey:
MKINFLVKXVOMLO-UHFFFAOYSA-N

Cite this record

CBID:340150 http://www.chembase.cn/molecule-340150.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
4-(1-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,4H,5H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl)morpholine
IUPAC Traditional name
4-(1-benzyl-5-{imidazo[1,2-a]pyridine-2-carbonyl}-4H,6H,7H-pyrazolo[4,3-c]pyridine-3-carbonyl)morpholine
Synonyms
1-benzyl-5-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-3-(4-morpholinylcarbonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridine

DATA SOURCES

DATA SOURCES

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Data Source Data ID
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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) 1.5122489  LogD (pH = 7.4) 1.5166723 
Log P 1.5167289  Molar Refractivity 143.4366 cm3
Polarizability 48.873905 Å3 Polar Surface Area 84.97 Å2
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.28  LOG S -4.48 
Polar Surface Area 84.97 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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