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1420478-89-2 | 1-Pyrrolidinecarboxylic acid, 2-[8-amino-1-[4-[(2-pyridinylamino)carbonyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-, phenylmethyl ester, (2S)-
CAS No: 1420478-89-2 Catalog No: AG001HM9 MDL No:
Product Description
Catalog Number:
AG001HM9
Chemical Name:
1-Pyrrolidinecarboxylic acid, 2-[8-amino-1-[4-[(2-pyridinylamino)carbonyl]phenyl]imidazo[1,5-a]pyrazin-3-yl]-, phenylmethyl ester, (2S)-
CAS Number:
1420478-89-2
Molecular Formula:
C30H27N7O3
Molecular Weight:
533.5805
IUPAC Name:
benzyl (2S)-2-[8-amino-1-[4-(pyridin-2-ylcarbamoyl)phenyl]imidazo[1,5-a]pyrazin-3-yl]pyrrolidine-1-carboxylate
InChI:
InChI=1S/C30H27N7O3/c31-27-26-25(21-11-13-22(14-12-21)29(38)34-24-10-4-5-15-32-24)35-28(37(26)18-16-33-27)23-9-6-17-36(23)30(39)40-19-20-7-2-1-3-8-20/h1-5,7-8,10-16,18,23H,6,9,17,19H2,(H2,31,33)(H,32,34,38)/t23-/m0/s1
InChI Key:
PBYIGYPMLIQOEW-QHCPKHFHSA-N
SMILES:
O=C(N1CCC[C@H]1c1nc(c2n1ccnc2N)c1ccc(cc1)C(=O)Nc1ccccn1)OCc1ccccc1
Properties
Complexity:
862
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
533.218g/mol
Formal Charge:
0
Heavy Atom Count:
40
Hydrogen Bond Acceptor Count:
7
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
533.592g/mol
Monoisotopic Mass:
533.218g/mol
Rotatable Bond Count:
7
Topological Polar Surface Area:
128A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.9
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