Crozbaciclib fumarateProduct ingredient for Crozbaciclib
- Name
- Crozbaciclib fumarate
- Drug Entry
- Crozbaciclib
- Accession Number
- DBSALT003404
- Structure
Structure for Crozbaciclib fumarate (DBSALT003404)
- Synonyms
- 5-fluoro-4-(7''-fluoro-2''-methylspiro[cyclopentane-1,3''-indol]-5''-yl)-N-(5-(1-methylpiperidin-4-yl)pyridin-2-yl)pyrimidin-2-amine fumarate
- UNII
- EA0UN3NLN3
- CAS Number
- Not Available
- Weight
- Average: 604.659
Monoisotopic: 604.260959925 - Chemical Formula
- C32H34F2N6O4
- InChI Key
- DJHWABVQPGVLAK-WLHGVMLRSA-N
- InChI
- InChI=1S/C28H30F2N6.C4H4O4/c1-17-28(9-3-4-10-28)21-13-20(14-22(29)26(21)33-17)25-23(30)16-32-27(35-25)34-24-6-5-19(15-31-24)18-7-11-36(2)12-8-18;5-3(6)1-2-4(7)8/h5-6,13-16,18H,3-4,7-12H2,1-2H3,(H,31,32,34,35);1-2H,(H,5,6)(H,7,8)/b;2-1+
- IUPAC Name
- (2E)-but-2-enedioic acid; 5-fluoro-4-{7'-fluoro-2'-methylspiro[cyclopentane-1,3'-indol]-5'-yl}-N-[5-(1-methylpiperidin-4-yl)pyridin-2-yl]pyrimidin-2-amine
- SMILES
- OC(=O)\C=C\C(O)=O.CN1CCC(CC1)C1=CN=C(NC2=NC(=C(F)C=N2)C2=CC3=C(N=C(C)C33CCCC3)C(F)=C2)C=C1
- External Links
- ChemSpider
- 128921424
- Predicted Properties
Property Value Source logP 5.78 Chemaxon pKa (Strongest Acidic) 9.91 Chemaxon pKa (Strongest Basic) 8.81 Chemaxon Physiological Charge 1 Chemaxon Hydrogen Acceptor Count 6 Chemaxon Hydrogen Donor Count 1 Chemaxon Polar Surface Area 66.3 Å2 Chemaxon Rotatable Bond Count 6 Chemaxon Refractivity 139.25 m3·mol-1 Chemaxon Polarizability 52.43 Å3 Chemaxon Number of Rings 6 Chemaxon Bioavailability 0 Chemaxon Rule of Five No Chemaxon Ghose Filter No Chemaxon Veber's Rule No Chemaxon MDDR-like Rule Yes Chemaxon