JNJ-28312141 hydrochlorideProduct ingredient for JNJ-28312141
- Name
- JNJ-28312141 hydrochloride
- Drug Entry
- JNJ-28312141
- Accession Number
- DBSALT003276
- Structure
Structure for JNJ-28312141 hydrochloride (DBSALT003276)
- Synonyms
- 1H-IMIDAZOLE-2-CARBOXAMIDE, 5-CYANO-N-(2-(1-CYCLOHEXEN-1-YL)-4-(1-(2-(DIMETHYLAMINO)ACETYL)-4-PIPERIDINYL)PHENYL)-, HYDROCHLORIDE (1:1) / 4-Cyano-N-[2-(1-Cyclohexen-1-Yl)-4-[1-[Dimethylamino)Acetyl]-4-Piperidinyl]Phenyl]-1H-Imidazole-2-Carboxamide Monohydrochloride
- UNII
- 9M5069B3F8
- CAS Number
- 1149939-55-8
- Weight
- Average: 497.04
Monoisotopic: 496.235352 - Chemical Formula
- C26H33ClN6O2
- InChI Key
- MVPKLZHNOLVZAU-UHFFFAOYSA-N
- InChI
- InChI=1S/C26H32N6O2.ClH/c1-31(2)17-24(33)32-12-10-18(11-13-32)20-8-9-23(22(14-20)19-6-4-3-5-7-19)30-26(34)25-28-16-21(15-27)29-25;/h6,8-9,14,16,18H,3-5,7,10-13,17H2,1-2H3,(H,28,29)(H,30,34);1H
- IUPAC Name
- 4-cyano-N-[2-(cyclohex-1-en-1-yl)-4-{1-[2-(dimethylamino)acetyl]piperidin-4-yl}phenyl]-1H-imidazole-2-carboxamide hydrochloride
- SMILES
- Cl.CN(C)CC(=O)N1CCC(CC1)C1=CC=C(NC(=O)C2=NC(=CN2)C#N)C(=C1)C1=CCCCC1
- External Links
- ChemSpider
- 25069690
- ChEMBL
- CHEMBL1908395
- Predicted Properties
Property Value Source logP 2.27 Chemaxon pKa (Strongest Acidic) 7.17 Chemaxon pKa (Strongest Basic) 7.77 Chemaxon Physiological Charge 0 Chemaxon Hydrogen Acceptor Count 5 Chemaxon Hydrogen Donor Count 2 Chemaxon Polar Surface Area 105.12 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 134.83 m3·mol-1 Chemaxon Polarizability 52.88 Å3 Chemaxon Number of Rings 4 Chemaxon Bioavailability 1 Chemaxon Rule of Five Yes Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon