tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

C95H96N20O2S2 — CID 157446103

About tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine

tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (PubChem CID 157446103) has the molecular formula C95H96N20O2S2 and a molecular weight of 1614.08 g/mol. Its IUPAC name is tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

Molecular Properties

• Compound Name: tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
• PubChem CID: 157446103
• Molecular Formula: C95H96N20O2S2
• Molecular Weight: 1614.08 g/mol
• Exact Mass: 1612.75
• IUPAC Name: tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine
• SMILES: CC(C)(C)OC(=O)N1CCN(CCNC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCSCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(NCc4cccs4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12
• InChI: InChI=1S/C36H42N8O2.C30H26N6S.C29H28N6S/c1-36(2,3)46-35(45)43-19-17-42(18-20-43)15-13-38-28-21-27(22-28)34-41-31(32-33(37)39-14-16-44(32)34)26-10-9-25-11-12-29(40-30(25)23-26)24-7-5-4-6-8-24;31-29-28-27(21-9-8-20-10-11-25(34-26(20)17-21)19-5-2-1-3-6-19)35-30(36(28)13-12-32-29)22-15-23(16-22)33-18-24-7-4-14-37-24;30-28-27-26(21-7-6-20-8-9-24(32-25(20)18-21)19-4-2-1-3-5-19)33-29(35(27)11-10-31-28)22-16-23(17-22)34-12-14-36-15-13-34/h4-12,14,16,23,27-28,38H,13,15,17-22H2,1-3H3,(H2,37,39);1-14,17,22-23,33H,15-16,18H2,(H2,31,32);1-11,18,22-23H,12-17H2,(H2,30,31)
• InChIKey: BSFVTZQQLZOGIQ-UHFFFAOYSA-N
• XLogP: 17.36
• TPSA: 267.38 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 23
• Rotatable Bonds: 17
• Heavy Atoms: 119
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1614.08
LogP ≤ 5	17.36
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	23

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

The IUPAC name of tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine (CID 157446103) is tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine.

What is the SMILES notation for tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

The canonical SMILES for tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is CC(C)(C)OC(=O)N1CCN(CCNC2CC(c3nc(-c4ccc5ccc(-c6ccccc6)nc5c4)c4c(N)nccn34)C2)CC1.Nc1nccn2c(C3CC(N4CCSCC4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.Nc1nccn2c(C3CC(NCc4cccs4)C3)nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c12.

What is the InChIKey of tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

The InChIKey is BSFVTZQQLZOGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H42N8O2.C30H26N6S.C29H28N6S/c1-36(2,3)46-35(45)43-19-17-42(18-20-43)15-13-38-28-21-27(22-28)34-41-31(32-33(37)39-14-16-44(32)34)26-10-9-25-11-12-29(40-30(25)23-26)24-7-5-4-6-8-24;31-29-28-27(21-9-8-20-10-11-25(34-26(20)17-21)19-5-2-1-3-6-19)35-30(36(28)13-12-32-29)22-15-23(16-22)33-18-24-7-4-14-37-24;30-28-27-26(21-7-6-20-8-9-24(32-25(20)18-21)19-4-2-1-3-5-19)33-29(35(27)11-10-31-28)22-16-23(17-22)34-12-14-36-15-13-34/h4-12,14,16,23,27-28,38H,13,15,17-22H2,1-3H3,(H2,37,39);1-14,17,22-23,33H,15-16,18H2,(H2,31,32);1-11,18,22-23H,12-17H2,(H2,30,31).

What are the key properties of tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine?

tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine has a molecular weight of 1614.08 g/mol, XLogP of 17.36, 17 rotatable bonds, 5 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl]piperazine-1-carboxylate;1-(2-phenylquinolin-7-yl)-3-(3-thiomorpholin-4-ylcyclobutyl)imidazo[1,5-a]pyrazin-8-amine;1-(2-phenylquinolin-7-yl)-3-[3-(thiophen-2-ylmethylamino)cyclobutyl]imidazo[1,5-a]pyrazin-8-amine is sourced from PubChem (CID 157446103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).