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1261114-01-5 | Ethanone, 2-amino-1-[3-[(4-chlorophenyl)amino]-2-(4-fluorophenyl)-5,6-dihydro-8,8-dimethylimidazo[1,2-a]pyrazin-7(8H)-yl]-
CAS No: 1261114-01-5 Catalog No: AG000RN2 MDL No:
Product Description
Catalog Number:
AG000RN2
Chemical Name:
Ethanone, 2-amino-1-[3-[(4-chlorophenyl)amino]-2-(4-fluorophenyl)-5,6-dihydro-8,8-dimethylimidazo[1,2-a]pyrazin-7(8H)-yl]-
CAS Number:
1261114-01-5
Molecular Formula:
C22H23ClFN5O
Molecular Weight:
427.9023
IUPAC Name:
2-amino-1-[3-(4-chloroanilino)-2-(4-fluorophenyl)-8,8-dimethyl-5,6-dihydroimidazo[1,2-a]pyrazin-7-yl]ethanone
InChI:
InChI=1S/C22H23ClFN5O/c1-22(2)21-27-19(14-3-7-16(24)8-4-14)20(26-17-9-5-15(23)6-10-17)28(21)11-12-29(22)18(30)13-25/h3-10,26H,11-13,25H2,1-2H3
InChI Key:
KFSKTWYDIHJITF-UHFFFAOYSA-N
SMILES:
NCC(=O)N1CCn2c(C1(C)C)nc(c2Nc1ccc(cc1)Cl)c1ccc(cc1)F
Properties
Complexity:
606
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
427.158g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
5
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
427.908g/mol
Monoisotopic Mass:
427.158g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
76.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3
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