3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one

C27H25ClN4O3 — CID 4171526

About 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one

3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one (PubChem CID 4171526) has the molecular formula C27H25ClN4O3 and a molecular weight of 488.98 g/mol. Its IUPAC name is 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one.

Molecular Properties

• Compound Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one
• PubChem CID: 4171526
• Molecular Formula: C27H25ClN4O3
• Molecular Weight: 488.98 g/mol
• Exact Mass: 488.16
• IUPAC Name: 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one
• SMILES: O=C(CC(c1ccc2c(c1)OCO2)c1cnc2ccccn12)N1CCN(c2cccc(Cl)c2)CC1
• InChI: InChI=1S/C27H25ClN4O3/c28-20-4-3-5-21(15-20)30-10-12-31(13-11-30)27(33)16-22(19-7-8-24-25(14-19)35-18-34-24)23-17-29-26-6-1-2-9-32(23)26/h1-9,14-15,17,22H,10-13,16,18H2
• InChIKey: MUGMBTYOVJUMGV-UHFFFAOYSA-N
• XLogP: 4.59
• TPSA: 59.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.98
LogP ≤ 5	4.59
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one?

The IUPAC name of 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one (CID 4171526) is 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one.

What is the SMILES notation for 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one?

The canonical SMILES for 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one is O=C(CC(c1ccc2c(c1)OCO2)c1cnc2ccccn12)N1CCN(c2cccc(Cl)c2)CC1.

What is the InChIKey of 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one?

The InChIKey is MUGMBTYOVJUMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25ClN4O3/c28-20-4-3-5-21(15-20)30-10-12-31(13-11-30)27(33)16-22(19-7-8-24-25(14-19)35-18-34-24)23-17-29-26-6-1-2-9-32(23)26/h1-9,14-15,17,22H,10-13,16,18H2.

What are the key properties of 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one?

3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one has a molecular weight of 488.98 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(1,3-benzodioxol-5-yl)-1-[4-(3-chlorophenyl)piperazin-1-yl]-3-imidazo[1,2-a]pyridin-3-ylpropan-1-one is sourced from PubChem (CID 4171526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).