| CAS Number | 1263373-43-8 |
| Catalog Number | AG009WN7 |
| Chemical Name | 4-((5'-chloro-2'-((1R,4r)-4-((R)-1-methoxypropan-2-ylamino)cyclohexylamino)-2,4'-bipyridin-6-ylamino)methyl)tetrahydro-2H-pyran-4-carbonitrile |
| IUPAC Name | 4-[[[6-[5-chloro-2-[[4-(1-methoxypropan-2-ylamino)cyclohexyl]amino]pyridin-4-yl]pyridin-2-yl]amino]methyl]oxane-4-carbonitrile |
| InChI | InChI=1S/C27H37ClN6O2/c1-19(16-35-2)32-20-6-8-21(9-7-20)33-26-14-22(23(28)15-30-26)24-4-3-5-25(34-24)31-18-27(17-29)10-12-36-13-11-27/h3-5,14-15,19-21,32H,6-13,16,18H2,1-2H3,(H,30,33)(H,31,34) |
| InChI Key | XWQVQSXLXAXOPJ-UHFFFAOYSA-N |
| MDL Number | MFCD28385769 |
| Molecular Formula | C27H37ClN6O2 |
| Molecular Weight | 513.0747 |
| SMILES | C(NC=1N=C(C=CC1)C=2C=C(N[C@H]3CC[C@H](N[C@@H](COC)C)CC3)N=CC2Cl)C4(C#N)CCOCC4 |
| Synonyms | 1263373-43-8,
SCHEMBL18955510,
NVP-2,
CDK9-IN-6,
1391855-95-0,
|
| Complexity | 706 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 512.267g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 36 |
| Hydrogen Bond Acceptor Count | 8 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 513.083g/mol |
| Monoisotopic Mass | 512.267g/mol |
| Rotatable Bond Count | 10 |
| Topological Polar Surface Area | 104A^2 |
| Undefined Atom Stereocenter Count | 1 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 4.3 |
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Lot Number