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1029712-80-8 molecular structure
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2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide

ChemBase ID: 312733
Molecular Formular: C23H17FN6O
Molecular Mass: 412.4190832
Monoisotopic Mass: 412.14478741
SMILES and InChIs

SMILES:
C(=O)(c1c(cc(cc1)c1nn2c(nc1)ncc2Cc1cc2cccnc2cc1)F)NC
Canonical SMILES:
CNC(=O)c1ccc(cc1F)c1cnc2n(n1)c(cn2)Cc1ccc2c(c1)cccn2
InChI:
InChI=1S/C23H17FN6O/c1-25-22(31)18-6-5-16(11-19(18)24)21-13-28-23-27-12-17(30(23)29-21)10-14-4-7-20-15(9-14)3-2-8-26-20/h2-9,11-13H,10H2,1H3,(H,25,31)
InChIKey:
LIOLIMKSCNQPLV-UHFFFAOYSA-N

Cite this record

CBID:312733 http://www.chembase.cn/molecule-312733.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
IUPAC Traditional name
2-fluoro-N-methyl-4-[7-(quinolin-6-ylmethyl)imidazo[1,2-b][1,2,4]triazin-2-yl]benzamide
Synonyms
INCB28060
CAS Number
1029712-80-8

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
Selleck Chemicals S2788 external link Add to cart
Data Source Data ID Price
Selleck Chemicals
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Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 12.768576  H Acceptors
H Donor LogD (pH = 5.5) 2.9207528 
LogD (pH = 7.4) 2.9637728  Log P 2.9643545 
Molar Refractivity 125.2725 cm3 Polarizability 44.758434 Å3
Polar Surface Area 85.07 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Pharmacology Properties Product Information Bioassay(PubChem)
Target
c-Met expand Show data source
Salt Data
Free Base expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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