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2-(2-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl)pyridine

ChemBase ID: 450246
Molecular Formular: C24H19N5O
Molecular Mass: 393.44056
Monoisotopic Mass: 393.15896025
SMILES and InChIs

SMILES:
c1(nc2n(c1)cccc2)C(=O)N1C(c2c(c3c([nH]2)cccc3)CC1)c1ncccc1
Canonical SMILES:
O=C(N1CCc2c(C1c1ccccn1)[nH]c1c2cccc1)c1cn2c(n1)cccc2
InChI:
InChI=1S/C24H19N5O/c30-24(20-15-28-13-6-4-10-21(28)26-20)29-14-11-17-16-7-1-2-8-18(16)27-22(17)23(29)19-9-3-5-12-25-19/h1-10,12-13,15,23,27H,11,14H2
InChIKey:
STVDMPCYYLWMMX-UHFFFAOYSA-N

Cite this record

CBID:450246 http://www.chembase.cn/molecule-450246.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-(2-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,2H,3H,4H,9H-pyrido[3,4-b]indol-1-yl)pyridine
IUPAC Traditional name
2-(2-{imidazo[1,2-a]pyridine-2-carbonyl}-1H,3H,4H,9H-pyrido[3,4-b]indol-1-yl)pyridine
Synonyms
2-(imidazo[1,2-a]pyridin-2-ylcarbonyl)-1-(2-pyridinyl)-2,3,4,9-tetrahydro-1H-beta-carboline

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 30699642 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 15.143884  H Acceptors
H Donor LogD (pH = 5.5) 3.0168073 
LogD (pH = 7.4) 3.02662  Log P 3.0267458 
Molar Refractivity 115.0012 cm3 Polarizability 44.4224 Å3
Polar Surface Area 66.29 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.54  LOG S -6.06 
Polar Surface Area 66.29 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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