6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine

C48H52BrCl3N18O6 — CID 159863204

About 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine

6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine (PubChem CID 159863204) has the molecular formula C48H52BrCl3N18O6 and a molecular weight of 1163.33 g/mol. Its IUPAC name is 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine.

Molecular Properties

• Compound Name: 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine
• PubChem CID: 159863204
• Molecular Formula: C48H52BrCl3N18O6
• Molecular Weight: 1163.33 g/mol
• Exact Mass: 1160.26
• IUPAC Name: 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine
• SMILES: CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12.CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n12.CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n12.Nc1ccncn1
• InChI: InChI=1S/2C16H17ClN6O2.C12H13BrClN3O2.C4H5N3/c2*1-22-6-3-16(4-7-22)21-14(24)13-10(17)8-11(15(25)23(13)16)20-12-2-5-18-9-19-12;1-16-4-2-12(3-5-16)15-10(18)9-8(14)6-7(13)11(19)17(9)12;5-4-1-2-6-3-7-4/h2*2,5,8-9H,3-4,6-7H2,1H3,(H,21,24)(H,18,19,20);6H,2-5H2,1H3,(H,15,18);1-3H,(H2,5,6,7)
• InChIKey: NRKGEHFQCRDDSZ-UHFFFAOYSA-N
• XLogP: 3.76
• TPSA: 290.44 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 21
• Rotatable Bonds: 4
• Heavy Atoms: 76
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1163.33
LogP ≤ 5	3.76
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	21

Frequently Asked Questions

What is the IUPAC name of 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine?

The IUPAC name of 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine (CID 159863204) is 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine.

What is the SMILES notation for 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine?

The canonical SMILES for 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine is CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Br)c(=O)n12.CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n12.CN1CCC2(CC1)NC(=O)c1c(Cl)cc(Nc3ccncn3)c(=O)n12.Nc1ccncn1.

What is the InChIKey of 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine?

The InChIKey is NRKGEHFQCRDDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17ClN6O2.C12H13BrClN3O2.C4H5N3/c2*1-22-6-3-16(4-7-22)21-14(24)13-10(17)8-11(15(25)23(13)16)20-12-2-5-18-9-19-12;1-16-4-2-12(3-5-16)15-10(18)9-8(14)6-7(13)11(19)17(9)12;5-4-1-2-6-3-7-4/h2*2,5,8-9H,3-4,6-7H2,1H3,(H,21,24)(H,18,19,20);6H,2-5H2,1H3,(H,15,18);1-3H,(H2,5,6,7).

What are the key properties of 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine?

6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine has a molecular weight of 1163.33 g/mol, XLogP of 3.76, 4 rotatable bonds, 6 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-8-chloro-1'-methylspiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione;bis(8-chloro-1'-methyl-6-(pyrimidin-4-ylamino)spiro[2H-imidazo[1,5-a]pyridine-3,4'-piperidine]-1,5-dione);pyrimidin-4-amine is sourced from PubChem (CID 159863204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).