6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride

C36H42BrCl3N10O4 — CID 161314213

About 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride

6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride (PubChem CID 161314213) has the molecular formula C36H42BrCl3N10O4 and a molecular weight of 865.06 g/mol. Its IUPAC name is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride.

Molecular Properties

• Compound Name: 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride
• PubChem CID: 161314213
• Molecular Formula: C36H42BrCl3N10O4
• Molecular Weight: 865.06 g/mol
• Exact Mass: 862.16
• IUPAC Name: 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride
• SMILES: CCc1cncnc1N.CCc1cncnc1Nc1cc(Cl)c2n(c1=O)C1(CCCCC1)NC2=O.Cl.O=C1NC2(CCCCC2)n2c1c(Cl)cc(Br)c2=O
• InChI: InChI=1S/C18H20ClN5O2.C12H12BrClN2O2.C6H9N3.ClH/c1-2-11-9-20-10-21-15(11)22-13-8-12(19)14-16(25)23-18(24(14)17(13)26)6-4-3-5-7-18;13-7-6-8(14)9-10(17)15-12(16(9)11(7)18)4-2-1-3-5-12;1-2-5-3-8-4-9-6(5)7;/h8-10H,2-7H2,1H3,(H,23,25)(H,20,21,22);6H,1-5H2,(H,15,17);3-4H,2H2,1H3,(H2,7,8,9);1H
• InChIKey: ZBBQEIANGBEOSM-UHFFFAOYSA-N
• XLogP: 6.63
• TPSA: 191.81 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 12
• Rotatable Bonds: 4
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	865.06
LogP ≤ 5	6.63
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride?

The IUPAC name of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride (CID 161314213) is 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride.

What is the SMILES notation for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride?

The canonical SMILES for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride is CCc1cncnc1N.CCc1cncnc1Nc1cc(Cl)c2n(c1=O)C1(CCCCC1)NC2=O.Cl.O=C1NC2(CCCCC2)n2c1c(Cl)cc(Br)c2=O.

What is the InChIKey of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride?

The InChIKey is ZBBQEIANGBEOSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN5O2.C12H12BrClN2O2.C6H9N3.ClH/c1-2-11-9-20-10-21-15(11)22-13-8-12(19)14-16(25)23-18(24(14)17(13)26)6-4-3-5-7-18;13-7-6-8(14)9-10(17)15-12(16(9)11(7)18)4-2-1-3-5-12;1-2-5-3-8-4-9-6(5)7;/h8-10H,2-7H2,1H3,(H,23,25)(H,20,21,22);6H,1-5H2,(H,15,17);3-4H,2H2,1H3,(H2,7,8,9);1H.

What are the key properties of 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride?

6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride has a molecular weight of 865.06 g/mol, XLogP of 6.63, 4 rotatable bonds, 4 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-chlorospiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;8-chloro-6-[(5-ethylpyrimidin-4-yl)amino]spiro[2H-imidazo[1,5-a]pyridine-3,1'-cyclohexane]-1,5-dione;5-ethylpyrimidin-4-amine;hydrochloride is sourced from PubChem (CID 161314213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).