-
5-ethyl-1'-(2-methoxypyridine-3-carbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
-
ChemBase ID:
322810
-
Molecular Formular:
C19H25N5O2
-
Molecular Mass:
355.4341
-
Monoisotopic Mass:
355.20082507
-
SMILES and InChIs
SMILES:
C12(c3c([nH]cn3)CCN1CC)CCN(C(=O)c1c(nccc1)OC)CC2
Canonical SMILES:
CCN1CCc2c(C31CCN(CC3)C(=O)c1cccnc1OC)nc[nH]2
InChI:
InChI=1S/C19H25N5O2/c1-3-24-10-6-15-16(22-13-21-15)19(24)7-11-23(12-8-19)18(25)14-5-4-9-20-17(14)26-2/h4-5,9,13H,3,6-8,10-12H2,1-2H3,(H,21,22)
InChIKey:
IFMRDFWDCSKVQW-UHFFFAOYSA-N
-
Cite this record
CBID:322810 http://www.chembase.cn/molecule-322810.html
NAMES AND DATABASE IDS
NAMES AND DATABASE IDS
Names Database IDs
IUPAC name
|
5-ethyl-1'-(2-methoxypyridine-3-carbonyl)-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
|
|
|
IUPAC Traditional name
|
5-ethyl-1'-(2-methoxypyridine-3-carbonyl)-6,7-dihydro-1H-spiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
|
|
|
Synonyms
|
5-ethyl-1'-[(2-methoxypyridin-3-yl)carbonyl]-1,5,6,7-tetrahydrospiro[imidazo[4,5-c]pyridine-4,4'-piperidine]
|
|
|
DATA SOURCES
DATA SOURCES
All Sources Commercial Sources Non-commercial Sources
CALCULATED PROPERTIES
CALCULATED PROPERTIES
JChem
供应商提供(Chembridge)
Acid pKa
|
12.955416
|
H Acceptors
|
5
|
H Donor
|
1
|
LogD (pH = 5.5)
|
-1.3950534
|
LogD (pH = 7.4)
|
0.07124378
|
Log P
|
0.52077645
|
Molar Refractivity
|
100.1318 cm3
|
Polarizability
|
37.770702 Å3
|
Polar Surface Area
|
74.35 Å2
|
Rotatable Bonds
|
3
|
Lipinski's Rule of Five
|
true
|
H Acceptors
|
5
|
H Donor
|
1
|
Log P
|
0.93
|
LOG S
|
-2.59
|
Polar Surface Area
|
74.35 Å2
|
Rotatable Bonds
|
3
|
PROPERTIES
PROPERTIES
Bioassay(PubChem)
PATENTS
PATENTS
PubChem Patent
Google Patent