1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

C96H97N23O2 — CID 158705306

IUPAC1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(=O)N1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.COCCN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCN(c5ncccn5)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C33H31N9.C32H35N7O.C31H31N7O/c34-31-30-29(24-8-7-23-9-10-27(38-28(23)21-24)22-5-2-1-3-6-22)39-32(42(30)14-13-35-31)25-19-26(20-25)40-15-17-41(18-16-40)33-36-11-4-12-37-33;1-40-18-17-37-13-15-38(16-14-37)26-19-25(20-26)32-36-29(30-31(33)34-11-12-39(30)32)24-8-7-23-9-10-27(35-28(23)21-24)22-5-3-2-4-6-22;1-20(39)36-13-15-37(16-14-36)25-17-24(18-25)31-35-28(29-30(32)33-11-12-38(29)31)23-8-7-22-9-10-26(34-27(22)19-23)21-5-3-2-4-6-21/h1-14,21,25-26H,15-20H2,(H2,34,35);2-12,21,25-26H,13-20H2,1H3,(H2,33,34);2-12,19,24-25H,13-18H2,1H3,(H2,32,33)
InChIKeyIIARDFCCFRUTBA-UHFFFAOYSA-N
MW1604.99 g/mol
LogP14.36
Rot. Bonds16

About 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 158705306) has the molecular formula C96H97N23O2 and a molecular weight of 1604.99 g/mol. Its IUPAC name is 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Name1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
PubChem CID158705306
Molecular FormulaC96H97N23O2
Molecular Weight1604.99 g/mol
Exact Mass1603.82
IUPAC Name1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
SMILESCC(=O)N1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.COCCN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCN(c5ncccn5)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
InChIInChI=1S/C33H31N9.C32H35N7O.C31H31N7O/c34-31-30-29(24-8-7-23-9-10-27(38-28(23)21-24)22-5-2-1-3-6-22)39-32(42(30)14-13-35-31)25-19-26(20-25)40-15-17-41(18-16-40)33-36-11-4-12-37-33;1-40-18-17-37-13-15-38(16-14-37)26-19-25(20-26)32-36-29(30-31(33)34-11-12-39(30)32)24-8-7-23-9-10-27(35-28(23)21-24)22-5-3-2-4-6-22;1-20(39)36-13-15-37(16-14-36)25-17-24(18-25)31-35-28(29-30(32)33-11-12-38(29)31)23-8-7-22-9-10-26(34-27(22)19-23)21-5-3-2-4-6-21/h1-14,21,25-26H,15-20H2,(H2,34,35);2-12,21,25-26H,13-20H2,1H3,(H2,33,34);2-12,19,24-25H,13-18H2,1H3,(H2,32,33)
InChIKeyIIARDFCCFRUTBA-UHFFFAOYSA-N
XLogP14.36
TPSA278.82 Ų
H-Bond Donors3
H-Bond Acceptors24
Rotatable Bonds16
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001604.99
LogP ≤ 514.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1024

Analyze 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 158705306) is 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is CC(=O)N1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.COCCN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCN(c5ncccn5)CC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.
What is the InChIKey of 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is IIARDFCCFRUTBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H31N9.C32H35N7O.C31H31N7O/c34-31-30-29(24-8-7-23-9-10-27(38-28(23)21-24)22-5-2-1-3-6-22)39-32(42(30)14-13-35-31)25-19-26(20-25)40-15-17-41(18-16-40)33-36-11-4-12-37-33;1-40-18-17-37-13-15-38(16-14-37)26-19-25(20-26)32-36-29(30-31(33)34-11-12-39(30)32)24-8-7-23-9-10-27(35-28(23)21-24)22-5-3-2-4-6-22;1-20(39)36-13-15-37(16-14-36)25-17-24(18-25)31-35-28(29-30(32)33-11-12-38(29)31)23-8-7-22-9-10-26(34-27(22)19-23)21-5-3-2-4-6-21/h1-14,21,25-26H,15-20H2,(H2,34,35);2-12,21,25-26H,13-20H2,1H3,(H2,33,34);2-12,19,24-25H,13-18H2,1H3,(H2,32,33).
What are the key properties of 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?
1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1604.99 g/mol, XLogP of 14.36, 16 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-[4-(2-methoxyethyl)piperazin-1-yl]cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(4-pyrimidin-2-ylpiperazin-1-yl)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 158705306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).