| CAS Number | 1293395-67-1 |
| Catalog Number | AG000Z2N(AGN-PC-093NJ9) |
| Chemical Name | 2-Pyrimidinamine, 4-[4-(4-fluorophenyl)-1-[1-(3-isoxazolylmethyl)-4-piperidinyl]-1H-imidazol-5-yl]- |
| IUPAC Name | 4-[5-(4-fluorophenyl)-3-[1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl]imidazol-4-yl]pyrimidin-2-amine |
| InChI | InChI=1S/C22H22FN7O/c23-16-3-1-15(2-4-16)20-21(19-5-9-25-22(24)27-19)30(14-26-20)18-6-10-29(11-7-18)13-17-8-12-31-28-17/h1-5,8-9,12,14,18H,6-7,10-11,13H2,(H2,24,25,27) |
| InChI Key | XPWHRQHBPRSUAW-UHFFFAOYSA-N |
| MDL Number | MFCD28386023 |
| Molecular Formula | C22H22FN7O |
| Molecular Weight | 419.4548 |
| SMILES | FC1=CC=C(C=C1)C=1N=CN(C1C1=NC(=NC=C1)N)C1CCN(CC1)CC1=NOC=C1 |
| Synonyms | 4-(4-(4-fluorophenyl)-1-(1-(1,2-oxazol-3-ylmethyl)piperidin-4-yl)-1H-imidazol-5-yl)pyrimidin-2-amine,
PF-5006739,
1293395-67-1,
4-{4-(4-Fluorophenyl)-1-[1-(1,2-Oxazol-3-Ylmethyl)piperidin-4-Yl]-1h-Imidazol-5-Yl}pyrimidin-2-Amine,
SCHEMBL1640953,
AKOS032962884,
PF 5006739,
PF-5006739,
PF-5006739, >=98% (HPLC),
2-Pyrimidinamine, 4-[4-(4-fluorophenyl)-1-[1-(3-isoxazolylmethyl)-4-piperidinyl]-1H-imidazol-5-yl]-,
4-[4-(4-Fluorophenyl)-1-[1-(3-isoxazolylmethyl)-4-piperidinyl]-1H-imidazol-5-yl]-2-pyrimidinamine,
XPWHRQHBPRSUAW-UHFFFAOYSA-N,
PFO,
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| Complexity | 570 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 419.187g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 31 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 1 |
| Isotope Atom Count | 0 |
| Molecular Weight | 419.464g/mol |
| Monoisotopic Mass | 419.187g/mol |
| Rotatable Bond Count | 5 |
| Topological Polar Surface Area | 98.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.9 |
GHS Hazard and Precautionary Statements
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Certificate of Analysis
Lot Number