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1420478-90-5 | Benzamide, 4-[8-amino-3-(2S)-2-pyrrolidinylimidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl-
CAS No: 1420478-90-5 Catalog No: AG001HM8 MDL No:
Product Description
Catalog Number:
AG001HM8
Chemical Name:
Benzamide, 4-[8-amino-3-(2S)-2-pyrrolidinylimidazo[1,5-a]pyrazin-1-yl]-N-2-pyridinyl-
CAS Number:
1420478-90-5
Molecular Formula:
C22H21N7O
Molecular Weight:
399.4484
IUPAC Name:
4-[8-amino-3-[(2S)-pyrrolidin-2-yl]imidazo[1,5-a]pyrazin-1-yl]-N-pyridin-2-ylbenzamide
InChI:
InChI=1S/C22H21N7O/c23-20-19-18(28-21(16-4-3-11-24-16)29(19)13-12-26-20)14-6-8-15(9-7-14)22(30)27-17-5-1-2-10-25-17/h1-2,5-10,12-13,16,24H,3-4,11H2,(H2,23,26)(H,25,27,30)/t16-/m0/s1
InChI Key:
RWBYECCAYSUTDK-INIZCTEOSA-N
SMILES:
O=C(c1ccc(cc1)c1nc(n2c1c(N)ncc2)[C@@H]1CCCN1)Nc1ccccn1
Properties
Complexity:
596
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
399.181g/mol
Formal Charge:
0
Heavy Atom Count:
30
Hydrogen Bond Acceptor Count:
6
Hydrogen Bond Donor Count:
3
Isotope Atom Count:
0
Molecular Weight:
399.458g/mol
Monoisotopic Mass:
399.181g/mol
Rotatable Bond Count:
4
Topological Polar Surface Area:
110A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.1
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