NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
1-(cyclohexylmethyl)-N3-cyclopropyl-N5-ethyl-4-oxo-N3-[(trimethyl-1H-pyrazol-4-yl)methyl]-1,4-dihydropyridine-3,5-dicarboxamide
|
|
|
IUPAC Traditional name
|
1-(cyclohexylmethyl)-N3-cyclopropyl-N5-ethyl-4-oxo-N3-[(trimethylpyrazol-4-yl)methyl]pyridine-3,5-dicarboxamide
|
|
|
Synonyms
|
1-(cyclohexylmethyl)-N-cyclopropyl-N'-ethyl-4-oxo-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-1,4-dihydro-3,5-pyridinedicarboxamide
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
15.053705
|
H Acceptors
|
5
|
H Donor
|
1
|
LogD (pH = 5.5)
|
2.3062775
|
LogD (pH = 7.4)
|
2.308323
|
Log P
|
2.3083491
|
Molar Refractivity
|
144.3562 cm3
|
Polarizability
|
50.222668 Å3
|
Polar Surface Area
|
87.54 Å2
|
Rotatable Bonds
|
8
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
1
|
Log P
|
1.3
|
LOG S
|
-6.0
|
Polar Surface Area
|
89.23 Å2
|
Rotatable Bonds
|
7
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent