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3-[(4-fluorophenyl)formamido]-N-{imidazo[1,2-a]pyridin-3-ylmethyl}propanamide

ChemBase ID: 323678
Molecular Formular: C18H17FN4O2
Molecular Mass: 340.3515832
Monoisotopic Mass: 340.13355402
SMILES and InChIs

SMILES:
n12c(ncc1CNC(=O)CCNC(=O)c1ccc(cc1)F)cccc2
Canonical SMILES:
O=C(NCc1cnc2n1cccc2)CCNC(=O)c1ccc(cc1)F
InChI:
InChI=1S/C18H17FN4O2/c19-14-6-4-13(5-7-14)18(25)20-9-8-17(24)22-12-15-11-21-16-3-1-2-10-23(15)16/h1-7,10-11H,8-9,12H2,(H,20,25)(H,22,24)
InChIKey:
OEJUYNFLSHTXPD-UHFFFAOYSA-N

Cite this record

CBID:323678 http://www.chembase.cn/molecule-323678.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-[(4-fluorophenyl)formamido]-N-{imidazo[1,2-a]pyridin-3-ylmethyl}propanamide
IUPAC Traditional name
3-[(4-fluorophenyl)formamido]-N-{imidazo[1,2-a]pyridin-3-ylmethyl}propanamide
Synonyms
4-fluoro-N-{3-[(imidazo[1,2-a]pyridin-3-ylmethyl)amino]-3-oxopropyl}benzamide

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
ChemBridge 11467964 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 14.2767105  H Acceptors
H Donor LogD (pH = 5.5) 0.11262707 
LogD (pH = 7.4) 0.7270258  Log P 0.75277144 
Molar Refractivity 92.1209 cm3 Polarizability 33.986134 Å3
Polar Surface Area 75.5 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.58  LOG S -3.03 
Polar Surface Area 75.5 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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