5-(4-fluorophenyl)-2-(methylsulfanyl)-6-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-(4-fluorophenyl)-2-(methylsulfanyl)-6-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

CAS: 866019-70-7

Formula: C20H20FN5OS

SMILES: CSC1=NN2C=C(CCN3CCOCC3)C(=NC2=C1C#N)C1=CC=C(F)C=C1

IUPAC: 5-(4-fluorophenyl)-2-(methylsulfanyl)-6-[2-(morpholin-4-yl)ethyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile

InChI: InChI=1S/C20H20FN5OS/c1-28-20-17(12-22)19-23-18(14-2-4-16(21)5-3-14)15(13-26(19)24-20)6-7-25-8-10-27-11-9-25/h2-5,13H,6-11H2,1H3

Composition: C (60.44%), H (5.07%), F (4.78%), N (17.62%), O (4.03%), S (8.07%)

Molar Mass: 397.47

Atom Count: 48

Heavy Atom Count: 28

Properties

Properties

Common Names	N/A
Aromatic Ring Count	3
Asymmetric Atom Count	0
Exact Mass	397.137259621
Formal Charge	0
FSP3	0.35
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	5
Hydrogen Bond Donor Count	0
InChIKey	UAHKRMZOPNRNEX-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	119.92
Topological Polar Surface Area	66.45
Polarizability	42.19
Ring Count	4
Rotatable Bond Count	5

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