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2-methyl-5-[1-(6-methylpyridin-2-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]pyrazine

ChemBase ID: 370227
Molecular Formular: C23H21N5O
Molecular Mass: 383.44574
Monoisotopic Mass: 383.17461032
SMILES and InChIs

SMILES:
c12C(N(C(=O)c3ncc(nc3)C)CCc1c1c([nH]2)cccc1)c1nc(ccc1)C
Canonical SMILES:
Cc1cccc(n1)C1N(CCc2c1[nH]c1c2cccc1)C(=O)c1cnc(cn1)C
InChI:
InChI=1S/C23H21N5O/c1-14-6-5-9-19(26-14)22-21-17(16-7-3-4-8-18(16)27-21)10-11-28(22)23(29)20-13-24-15(2)12-25-20/h3-9,12-13,22,27H,10-11H2,1-2H3
InChIKey:
ZEYCHMSWIGHVRG-UHFFFAOYSA-N

Cite this record

CBID:370227 http://www.chembase.cn/molecule-370227.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-methyl-5-[1-(6-methylpyridin-2-yl)-1H,2H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]pyrazine
IUPAC Traditional name
2-methyl-5-[1-(6-methylpyridin-2-yl)-1H,3H,4H,9H-pyrido[3,4-b]indole-2-carbonyl]pyrazine
Synonyms
2-[(5-methyl-2-pyrazinyl)carbonyl]-1-(6-methyl-2-pyridinyl)-2,3,4,9-tetrahydro-1H-beta-carboline

DATA SOURCES

DATA SOURCES

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Data Source Data ID
ChemBridge 18239351 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 15.143879  H Acceptors
H Donor LogD (pH = 5.5) 2.03969 
LogD (pH = 7.4) 2.0674715  Log P 2.0678377 
Molar Refractivity 109.992 cm3 Polarizability 43.194366 Å3
Polar Surface Area 74.77 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 2.07  LOG S -6.12 
Polar Surface Area 74.77 Å2 Rotatable Bonds

PROPERTIES

PROPERTIES

Bioassay(PubChem)

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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