4-{2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl}morpholine

4-{2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl}morpholine

CAS: 866019-69-4

Formula: C24H22BrFN4O

SMILES: FC1=CC=C(C=C1)C1=NC2=C(Br)C(=NN2C=C1CCN1CCOCC1)C1=CC=CC=C1

IUPAC: 4-{2-[3-bromo-5-(4-fluorophenyl)-2-phenylpyrazolo[1,5-a]pyrimidin-6-yl]ethyl}morpholine

InChI: InChI=1S/C24H22BrFN4O/c25-21-23(17-4-2-1-3-5-17)28-30-16-19(10-11-29-12-14-31-15-13-29)22(27-24(21)30)18-6-8-20(26)9-7-18/h1-9,16H,10-15H2

Composition: C (59.88%), H (4.61%), Br (16.60%), F (3.95%), N (11.64%), O (3.32%)

Molar Mass: 481.369

Atom Count: 53

Heavy Atom Count: 31

Properties

Properties

Common Names	N/A
Aromatic Ring Count	4
Asymmetric Atom Count	0
Exact Mass	480.096103
Formal Charge	0
FSP3	0.25
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	4
Hydrogen Bond Donor Count	0
InChIKey	WLCSMYMGQXHOAY-UHFFFAOYSA-N
Lipinski's Rule of Five
Molar Refractivity	133.51
Topological Polar Surface Area	42.66
Polarizability	49.07
Ring Count	5
Rotatable Bond Count	5

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