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3-fluoro-5-methyl-N-[4-(1H-pyrazol-1-yl)butan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide

ChemBase ID: 865661
Molecular Formular: C16H18FN5O
Molecular Mass: 315.3454232
Monoisotopic Mass: 315.14953844
SMILES and InChIs

SMILES:
c1(c(n2c(n1)cccc2C)F)C(=O)NC(CCn1nccc1)C
Canonical SMILES:
CC(NC(=O)c1nc2n(c1F)c(C)ccc2)CCn1cccn1
InChI:
InChI=1S/C16H18FN5O/c1-11(7-10-21-9-4-8-18-21)19-16(23)14-15(17)22-12(2)5-3-6-13(22)20-14/h3-6,8-9,11H,7,10H2,1-2H3,(H,19,23)
InChIKey:
ROWVBELMOHJVHF-UHFFFAOYSA-N

Cite this record

CBID:865661 http://www.chembase.cn/molecule-865661.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
3-fluoro-5-methyl-N-[4-(1H-pyrazol-1-yl)butan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
IUPAC Traditional name
3-fluoro-5-methyl-N-[4-(pyrazol-1-yl)butan-2-yl]imidazo[1,2-a]pyridine-2-carboxamide
Synonyms
3-fluoro-5-methyl-N-[1-methyl-3-(1H-pyrazol-1-yl)propyl]imidazo[1,2-a]pyridine-2-carboxamide

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)
Acid pKa 11.714038  H Acceptors
H Donor LogD (pH = 5.5) 1.1566411 
LogD (pH = 7.4) 1.1568378  Log P 1.1568592 
Molar Refractivity 97.1367 cm3 Polarizability 31.374062 Å3
Polar Surface Area 64.22 Å2 Rotatable Bonds
Lipinski's Rule of Five true 
H Acceptors H Donor
Log P 1.57  LOG S -2.84 
Polar Surface Area 64.22 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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