| CAS Number | 1665195-94-7 |
| Catalog Number | AG00AMHF |
| Chemical Name | 4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]-benzonitrile |
| IUPAC Name | 4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzonitrile |
| InChI | InChI=1S/C20H19N7/c1-25-12-16(10-23-25)7-8-27-14-22-19(18-11-24-26(2)13-18)20(27)17-5-3-15(9-21)4-6-17/h3-6,10-14H,7-8H2,1-2H3 |
| InChI Key | RRZVGDGTWNQAPW-UHFFFAOYSA-N |
| MDL Number | MFCD28166490 |
| Molecular Formula | C20H19N7 |
| Molecular Weight | 357.4118 |
| SMILES | CN1C=C(CCN2C=NC(C3=CN(C)N=C3)=C2C4=CC=C(C#N)C=C4)C=N1 |
| Synonyms | BAZ2-ICR,
1665195-94-7,
4-(4-(1-Methyl-1H-pyrazol-4-yl)-1-(2-(1-methyl-1H-pyrazol-4-yl)ethyl)-1H-imidazol-5-yl)benzonitrile,
4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]-benzonitrile,
inhibitor 13 [PMID: 25719566],
4-[4-(1-methyl-1H-pyrazol-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]benzonitrile,
GTPL8571,
EX-A746,
BCP23999,
MFCD28166490,
AKOS025142070,
ZINC226098129,
BAZ2-ICR, >=98% (HPLC),
NCGC00384197-02,
FT-0700236,
4-[5-(1-methylpyrazol-4-yl)-3-[2-(1-methylpyrazol-4-yl)ethyl]imidazol-4-yl]benzonitrile,
4-[1-[2-(1-Methyl-1H-pyrazole-4-yl)ethyl]-4-(1-methyl-1H-pyrazole-4-yl)-1H-imidazole-5-yl]benzonitrile,
4-[4-(1-Methyl-1H-pyrazole-4-yl)-1-[2-(1-methyl-1H-pyrazol-4-yl)ethyl]-1H-imidazol-5-yl]benzonitrile,
D0I4FP,
A15947,
|
| Complexity | 538 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 357.17g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 27 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 357.421g/mol |
| Monoisotopic Mass | 357.17g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 77.2A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.6 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number