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4-(1-fluoroethyl)-3-[2-({1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one

4-(1-fluoroethyl)-3-[2-({1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one

CAS: 1628805-46-8

Formula: C23H22F4N6O2

SMILES: CC(F)C1COC(=O)N1C1=NC(NC(C)C2=NC=C(C(C)=C2)C2=CC(=NC=C2)C(F)(F)F)=NC=C1

IUPAC: 4-(1-fluoroethyl)-3-[2-({1-[4-methyl-2'-(trifluoromethyl)-[3,4'-bipyridin]-6-yl]ethyl}amino)pyrimidin-4-yl]-1,3-oxazolidin-2-one

InChI: InChI=1/C23H22F4N6O2/c1-12-8-17(30-10-16(12)15-4-6-28-19(9-15)23(25,26)27)14(3)31-21-29-7-5-20(32-21)33-18(13(2)24)11-35-22(33)34/h4-10,13-14,18H,11H2,1-3H3,(H,29,31,32)

Composition: C (56.32%), H (4.52%), F (15.49%), N (17.14%), O (6.52%)

Molar Mass: 490.463

Atom Count: 57

Heavy Atom Count: 35

Properties
Properties
Common Names N/A
Aromatic Ring Count 3
Asymmetric Atom Count 3
Exact Mass 490.174036624
Formal Charge 0
FSP3 0.35
Hetero Ring Count 4
Hydrogen Bond Acceptor Count 7
Hydrogen Bond Donor Count 1
InChIKey DCGDPJCUIKLTDU-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 119.55
Topological Polar Surface Area 93.13
Polarizability 45.08
Ring Count 4
Rotatable Bond Count 7

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