tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

C95H95Cl2N19O3 — CID 158357889

IUPACtert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(=O)N1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(Cl)nccn34)C2)CC1.CC(C)(C)OC(=O)N1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(Cl)nccn34)C2)CC1.CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C34H35ClN6O2.C31H29ClN6O.C30H31N7/c1-34(2,3)43-33(42)40-17-15-39(16-18-40)26-19-25(20-26)32-38-29(30-31(35)36-13-14-41(30)32)24-10-9-23-11-12-27(37-28(23)21-24)22-7-5-4-6-8-22;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;1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h4-14,21,25-26H,15-20H2,1-3H3;2-12,19,24-25H,13-18H2,1H3;2-12,19,23-24H,13-18H2,1H3,(H2,31,32)
InChIKeyGTCJVACTDCUOSQ-UHFFFAOYSA-N
MW1621.84 g/mol
LogP17.43
Rot. Bonds12

About tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine

tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (PubChem CID 158357889) has the molecular formula C95H95Cl2N19O3 and a molecular weight of 1621.84 g/mol. Its IUPAC name is tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

Compound Nametert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
PubChem CID158357889
Molecular FormulaC95H95Cl2N19O3
Molecular Weight1621.84 g/mol
Exact Mass1619.72
IUPAC Nametert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine
SMILESCC(=O)N1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(Cl)nccn34)C2)CC1.CC(C)(C)OC(=O)N1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(Cl)nccn34)C2)CC1.CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1
InChIInChI=1S/C34H35ClN6O2.C31H29ClN6O.C30H31N7/c1-34(2,3)43-33(42)40-17-15-39(16-18-40)26-19-25(20-26)32-38-29(30-31(35)36-13-14-41(30)32)24-10-9-23-11-12-27(37-28(23)21-24)22-7-5-4-6-8-22;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;1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h4-14,21,25-26H,15-20H2,1-3H3;2-12,19,24-25H,13-18H2,1H3;2-12,19,23-24H,13-18H2,1H3,(H2,31,32)
InChIKeyGTCJVACTDCUOSQ-UHFFFAOYSA-N
XLogP17.43
TPSA218.07 Ų
H-Bond Donors1
H-Bond Acceptors20
Rotatable Bonds12
Heavy Atoms119
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001621.84
LogP ≤ 517.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1020

Analyze tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-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 tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The IUPAC name of tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine (CID 158357889) is tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine.
What is the SMILES notation for tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The canonical SMILES for tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is CC(=O)N1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(Cl)nccn34)C2)CC1.CC(C)(C)OC(=O)N1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(Cl)nccn34)C2)CC1.CN1CCN(C2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.
What is the InChIKey of tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
The InChIKey is GTCJVACTDCUOSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H35ClN6O2.C31H29ClN6O.C30H31N7/c1-34(2,3)43-33(42)40-17-15-39(16-18-40)26-19-25(20-26)32-38-29(30-31(35)36-13-14-41(30)32)24-10-9-23-11-12-27(37-28(23)21-24)22-7-5-4-6-8-22;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;1-35-13-15-36(16-14-35)24-17-23(18-24)30-34-27(28-29(31)32-11-12-37(28)30)22-8-7-21-9-10-25(33-26(21)19-22)20-5-3-2-4-6-20/h4-14,21,25-26H,15-20H2,1-3H3;2-12,19,24-25H,13-18H2,1H3;2-12,19,23-24H,13-18H2,1H3,(H2,31,32).
What are the key properties of tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine?
tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1621.84 g/mol, XLogP of 17.43, 12 rotatable bonds, 1 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazine-1-carboxylate;1-[4-[3-[8-chloro-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]piperazin-1-yl]ethanone;3-[3-(4-methylpiperazin-1-yl)cyclobutyl]-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 158357889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).