| CAS Number | 1187460-81-6 |
| Catalog Number | AG008VWH(AGN-PC-0WOYMV) |
| Chemical Name | PF-184 |
| IUPAC Name | 8-[[2-[(3R,4S)-3,4-bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-5-chloropyridine-4-carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydrobenzo[g]indazole-3-carboxamide |
| InChI | InChI=1S/C32H32ClFN6O4/c1-31(16-41)14-39(15-32(31,2)17-42)26-12-24(25(33)13-36-26)30(44)37-20-7-3-18-4-10-22-27(29(35)43)38-40(28(22)23(18)11-20)21-8-5-19(34)6-9-21/h3,5-9,11-13,41-42H,4,10,14-17H2,1-2H3,(H2,35,43)(H,37,44)/t31-,32+ |
| InChI Key | JUOWWGNRWRLBSV-MEKGRNQZSA-N |
| MDL Number | MFCD17166976 |
| Molecular Formula | C32H32ClFN6O4 |
| Molecular Weight | 619.0857 |
| SMILES | OC[C@]1(C)CN(C[C@]1(C)CO)c1ncc(c(c1)C(=O)Nc1ccc2c(-c3c(CC2)c(nn3c2ccc(cc2)F)C(=O)N)c1)Cl |
| Synonyms | PF 184,
1187460-81-6,
8-[[[5-Chloro-2-[3,4-dimethyl-3,4-bis(hydroxymethyl)-1-pyrrolidinyl]-4-pyridinyl]carbonyl]amino]-1-(4-fluorophenyl)-4,5-dihydro-1H-benz[g]indazole-3-carboxamide,
SCHEMBL19784968,
DTXSID00727008,
ZINC43205342,
AKOS024458048,
NCGC00263213-01,
NCGC00263213-02,
FT-0673646,
8-({2-[(3R,4S)-3,4-Bis(hydroxymethyl)-3,4-dimethylpyrrolidin-1-yl]-5-chloropyridine-4-carbonyl}amino)-1-(4-fluorophenyl)-4,5-dihydro-1H-benzo[g]indazole-3-carboxamide,
|
| Complexity | 1050 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 2 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 618.216g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 44 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 4 |
| Isotope Atom Count | 0 |
| Molecular Weight | 619.094g/mol |
| Monoisotopic Mass | 618.216g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 147A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 3.7 |
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