tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate

C36H44N8O2 — CID 143495307

About tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate

tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate (PubChem CID 143495307) has the molecular formula C36H44N8O2 and a molecular weight of 620.80 g/mol. Its IUPAC name is tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate.

Molecular Properties

• Compound Name: tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate
• PubChem CID: 143495307
• Molecular Formula: C36H44N8O2
• Molecular Weight: 620.80 g/mol
• Exact Mass: 620.36
• IUPAC Name: tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate
• SMILES: CCN(CCNC(=O)OC(C)(C)C)CCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1
• InChI: InChI=1S/C36H44N8O2/c1-5-43(19-16-40-35(45)46-36(2,3)4)18-15-38-28-21-27(22-28)34-42-31(32-33(37)39-17-20-44(32)34)26-12-11-25-13-14-29(41-30(25)23-26)24-9-7-6-8-10-24/h6-14,17,20,23,27-28,38H,5,15-16,18-19,21-22H2,1-4H3,(H2,37,39)(H,40,45)
• InChIKey: WJTXFWADNFEBRO-UHFFFAOYSA-N
• XLogP: 5.88
• TPSA: 122.70 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	620.80
LogP ≤ 5	5.88
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate?

The IUPAC name of tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate (CID 143495307) is tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate.

What is the SMILES notation for tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate?

The canonical SMILES for tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate is CCN(CCNC(=O)OC(C)(C)C)CCNC1CC(c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn23)C1.

What is the InChIKey of tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate?

The InChIKey is WJTXFWADNFEBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H44N8O2/c1-5-43(19-16-40-35(45)46-36(2,3)4)18-15-38-28-21-27(22-28)34-42-31(32-33(37)39-17-20-44(32)34)26-12-11-25-13-14-29(41-30(25)23-26)24-9-7-6-8-10-24/h6-14,17,20,23,27-28,38H,5,15-16,18-19,21-22H2,1-4H3,(H2,37,39)(H,40,45).

What are the key properties of tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate?

tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate has a molecular weight of 620.80 g/mol, XLogP of 5.88, 11 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[2-[[3-[8-amino-1-(2-phenylquinolin-7-yl)imidazo[1,5-a]pyrazin-3-yl]cyclobutyl]amino]ethyl-ethylamino]ethyl]carbamate is sourced from PubChem (CID 143495307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).