NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
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methyl 5-[(butan-2-yl)amino]-3-(2-methoxyacetamido)-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
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IUPAC Traditional name
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methyl 3-(2-methoxyacetamido)-1-methyl-5-(sec-butylamino)pyrrolo[2,3-b]pyridine-2-carboxylate
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Synonyms
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methyl 5-(sec-butylamino)-3-[(methoxyacetyl)amino]-1-methyl-1H-pyrrolo[2,3-b]pyridine-2-carboxylate
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DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
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10.762458
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H Acceptors
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5
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H Donor
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2
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LogD (pH = 5.5)
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1.8396754
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LogD (pH = 7.4)
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1.8508972
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Log P
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1.851224
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Molar Refractivity
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96.9413 cm3
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Polarizability
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36.11883 Å3
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Polar Surface Area
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94.48 Å2
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Rotatable Bonds
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8
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Lipinski's Rule of Five
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true
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H Acceptors
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6
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H Donor
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2
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Log P
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2.6
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LOG S
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-4.49
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Polar Surface Area
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94.48 Å2
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Rotatable Bonds
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5
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PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent