1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C87H85ClN18O5S — CID 162092780

IUPAC1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCOCC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.CS(=O)(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.Nc1nccn2c(CC3CCN(C(=O)CCl)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C30H30N6O2.C29H27ClN6O.C28H28N6O2S/c1-38-19-27(37)35-14-11-20(12-15-35)17-26-34-28(29-30(31)32-13-16-36(26)29)23-8-7-22-9-10-24(33-25(22)18-23)21-5-3-2-4-6-21;30-18-26(37)35-13-10-19(11-14-35)16-25-34-27(28-29(31)32-12-15-36(25)28)22-7-6-21-8-9-23(33-24(21)17-22)20-4-2-1-3-5-20;1-37(35,36)33-14-11-19(12-15-33)17-25-32-26(27-28(29)30-13-16-34(25)27)22-8-7-21-9-10-23(31-24(21)18-22)20-5-3-2-4-6-20/h2-10,13,16,18,20H,11-12,14-15,17,19H2,1H3,(H2,31,32);1-9,12,15,17,19H,10-11,13-14,16,18H2,(H2,31,32);2-10,13,16,18-19H,11-12,14-15,17H2,1H3,(H2,29,30)
InChIKeyZDVNXOPAJKVANU-UHFFFAOYSA-N
MW1530.28 g/mol
LogP14.24
Rot. Bonds16

About 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 162092780) has the molecular formula C87H85ClN18O5S and a molecular weight of 1530.28 g/mol. Its IUPAC name is 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID162092780
Molecular FormulaC87H85ClN18O5S
Molecular Weight1530.28 g/mol
Exact Mass1528.64
IUPAC Name1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCOCC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.CS(=O)(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.Nc1nccn2c(CC3CCN(C(=O)CCl)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C30H30N6O2.C29H27ClN6O.C28H28N6O2S/c1-38-19-27(37)35-14-11-20(12-15-35)17-26-34-28(29-30(31)32-13-16-36(26)29)23-8-7-22-9-10-24(33-25(22)18-23)21-5-3-2-4-6-21;30-18-26(37)35-13-10-19(11-14-35)16-25-34-27(28-29(31)32-12-15-36(25)28)22-7-6-21-8-9-23(33-24(21)17-22)20-4-2-1-3-5-20;1-37(35,36)33-14-11-19(12-15-33)17-25-32-26(27-28(29)30-13-16-34(25)27)22-8-7-21-9-10-23(31-24(21)18-22)20-5-3-2-4-6-20/h2-10,13,16,18,20H,11-12,14-15,17,19H2,1H3,(H2,31,32);1-9,12,15,17,19H,10-11,13-14,16,18H2,(H2,31,32);2-10,13,16,18-19H,11-12,14-15,17H2,1H3,(H2,29,30)
InChIKeyZDVNXOPAJKVANU-UHFFFAOYSA-N
XLogP14.24
TPSA294.53 Ų
H-Bond Donors3
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms112
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001530.28
LogP ≤ 514.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 162092780) is 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is COCC(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.CS(=O)(=O)N1CCC(Cc2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)CC1.Nc1nccn2c(CC3CCN(C(=O)CCl)CC3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is ZDVNXOPAJKVANU-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N6O2.C29H27ClN6O.C28H28N6O2S/c1-38-19-27(37)35-14-11-20(12-15-35)17-26-34-28(29-30(31)32-13-16-36(26)29)23-8-7-22-9-10-24(33-25(22)18-23)21-5-3-2-4-6-21;30-18-26(37)35-13-10-19(11-14-35)16-25-34-27(28-29(31)32-12-15-36(25)28)22-7-6-21-8-9-23(33-24(21)17-22)20-4-2-1-3-5-20;1-37(35,36)33-14-11-19(12-15-33)17-25-32-26(27-28(29)30-13-16-34(25)27)22-8-7-21-9-10-23(31-24(21)18-22)20-5-3-2-4-6-20/h2-10,13,16,18,20H,11-12,14-15,17,19H2,1H3,(H2,31,32);1-9,12,15,17,19H,10-11,13-14,16,18H2,(H2,31,32);2-10,13,16,18-19H,11-12,14-15,17H2,1H3,(H2,29,30).
What are the key properties of 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1530.28 g/mol, XLogP of 14.24, 16 rotatable bonds, 3 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-chloroethanone;1-[4-[[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]methyl]piperidin-1-yl]-2-methoxyethanone;3-[(1-methylsulfonylpiperidin-4-yl)methyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 162092780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).