3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one

C25H24BrN3O3S — CID 66853131

About 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one

3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one (PubChem CID 66853131) has the molecular formula C25H24BrN3O3S and a molecular weight of 526.46 g/mol. Its IUPAC name is 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one
• PubChem CID: 66853131
• Molecular Formula: C25H24BrN3O3S
• Molecular Weight: 526.46 g/mol
• Exact Mass: 525.07
• IUPAC Name: 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one
• SMILES: O=C(CCS(=O)(=O)c1ccc2cc(Br)ccc2c1)N1CCC(c2cnc3ccccn23)CC1
• InChI: InChI=1S/C25H24BrN3O3S/c26-21-6-4-20-16-22(7-5-19(20)15-21)33(31,32)14-10-25(30)28-12-8-18(9-13-28)23-17-27-24-3-1-2-11-29(23)24/h1-7,11,15-18H,8-10,12-14H2
• InChIKey: ASHXBUNFMGQUGD-UHFFFAOYSA-N
• XLogP: 4.82
• TPSA: 71.75 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.46
LogP ≤ 5	4.82
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one?

The IUPAC name of 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one (CID 66853131) is 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one.

What is the SMILES notation for 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one?

The canonical SMILES for 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one is O=C(CCS(=O)(=O)c1ccc2cc(Br)ccc2c1)N1CCC(c2cnc3ccccn23)CC1.

What is the InChIKey of 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one?

The InChIKey is ASHXBUNFMGQUGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24BrN3O3S/c26-21-6-4-20-16-22(7-5-19(20)15-21)33(31,32)14-10-25(30)28-12-8-18(9-13-28)23-17-27-24-3-1-2-11-29(23)24/h1-7,11,15-18H,8-10,12-14H2.

What are the key properties of 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one?

3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one has a molecular weight of 526.46 g/mol, XLogP of 4.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(6-bromonaphthalen-2-yl)sulfonyl-1-(4-imidazo[1,2-a]pyridin-3-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 66853131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).