[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone

C25H32N4O3 — CID 112770907

About [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone

[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone (PubChem CID 112770907) has the molecular formula C25H32N4O3 and a molecular weight of 436.56 g/mol. Its IUPAC name is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone.

Molecular Properties

• Compound Name: [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
• PubChem CID: 112770907
• Molecular Formula: C25H32N4O3
• Molecular Weight: 436.56 g/mol
• Exact Mass: 436.25
• IUPAC Name: [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone
• SMILES: COc1cc(C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)ccc1OC(C)C
• InChI: InChI=1S/C25H32N4O3/c1-17(2)32-22-7-6-20(15-23(22)31-5)25(30)28-12-10-27(11-13-28)16-21-19(4)26-24-14-18(3)8-9-29(21)24/h6-9,14-15,17H,10-13,16H2,1-5H3
• InChIKey: GOEGYPJISNOXJN-UHFFFAOYSA-N
• XLogP: 3.70
• TPSA: 59.31 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.56
LogP ≤ 5	3.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?

The IUPAC name of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone (CID 112770907) is [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone.

What is the SMILES notation for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?

The canonical SMILES for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone is COc1cc(C(=O)N2CCN(Cc3c(C)nc4cc(C)ccn34)CC2)ccc1OC(C)C.

What is the InChIKey of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?

The InChIKey is GOEGYPJISNOXJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O3/c1-17(2)32-22-7-6-20(15-23(22)31-5)25(30)28-12-10-27(11-13-28)16-21-19(4)26-24-14-18(3)8-9-29(21)24/h6-9,14-15,17H,10-13,16H2,1-5H3.

What are the key properties of [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone?

[4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone has a molecular weight of 436.56 g/mol, XLogP of 3.70, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[(2,7-dimethylimidazo[1,2-a]pyridin-3-yl)methyl]piperazin-1-yl]-(3-methoxy-4-propan-2-yloxyphenyl)methanone is sourced from PubChem (CID 112770907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).