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1589527-65-0 | Urea, N-[4-[8-amino-3-(1,1-dimethylethyl)imidazo[1,5-a]pyrazin-1-yl]-1-naphthalenyl]-N'-[3-(trifluoromethyl)phenyl]-
CAS No: 1589527-65-0 Catalog No: AG001R1I MDL No:MFCD29477497
Product Description
Catalog Number:
AG001R1I
Chemical Name:
Urea, N-[4-[8-amino-3-(1,1-dimethylethyl)imidazo[1,5-a]pyrazin-1-yl]-1-naphthalenyl]-N'-[3-(trifluoromethyl)phenyl]-
CAS Number:
1589527-65-0
Molecular Formula:
C28H25F3N6O
Molecular Weight:
518.5329
MDL Number:
MFCD29477497
IUPAC Name:
1-[4-(8-amino-3-tert-butylimidazo[1,5-a]pyrazin-1-yl)naphthalen-1-yl]-3-[3-(trifluoromethyl)phenyl]urea
InChI:
InChI=1S/C28H25F3N6O/c1-27(2,3)25-36-22(23-24(32)33-13-14-37(23)25)20-11-12-21(19-10-5-4-9-18(19)20)35-26(38)34-17-8-6-7-16(15-17)28(29,30)31/h4-15H,1-3H3,(H2,32,33)(H2,34,35,38)
InChI Key:
NOHQEAFAESMMDX-UHFFFAOYSA-N
SMILES:
O=C(Nc1ccc(c2c1cccc2)c1nc(n2c1c(N)ncc2)C(C)(C)C)Nc1cccc(c1)C(F)(F)F
Properties
Complexity:
834
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
518.204g/mol
Formal Charge:
0
Heavy Atom Count:
38
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
518.544g/mol
Monoisotopic Mass:
518.204g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
97.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
6.5
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