[4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

C28H27N5O3 — CID 45488671

About [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone

[4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 45488671) has the molecular formula C28H27N5O3 and a molecular weight of 481.56 g/mol. Its IUPAC name is [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

Molecular Properties

• Compound Name: [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
• PubChem CID: 45488671
• Molecular Formula: C28H27N5O3
• Molecular Weight: 481.56 g/mol
• Exact Mass: 481.21
• IUPAC Name: [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
• SMILES: Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2c(-c3ccoc3)nc3ccccn23)CC1
• InChI: InChI=1S/C28H27N5O3/c1-19-24(25(31-36-19)21-7-3-2-4-8-21)28(34)32-14-10-20(11-15-32)17-29-27-26(22-12-16-35-18-22)30-23-9-5-6-13-33(23)27/h2-9,12-13,16,18,20,29H,10-11,14-15,17H2,1H3
• InChIKey: BNXWELDJVSBHLI-UHFFFAOYSA-N
• XLogP: 5.52
• TPSA: 88.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	481.56
LogP ≤ 5	5.52
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?

The IUPAC name of [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 45488671) is [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone.

What is the SMILES notation for [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?

The canonical SMILES for [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2c(-c3ccoc3)nc3ccccn23)CC1.

What is the InChIKey of [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?

The InChIKey is BNXWELDJVSBHLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3/c1-19-24(25(31-36-19)21-7-3-2-4-8-21)28(34)32-14-10-20(11-15-32)17-29-27-26(22-12-16-35-18-22)30-23-9-5-6-13-33(23)27/h2-9,12-13,16,18,20,29H,10-11,14-15,17H2,1H3.

What are the key properties of [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone?

[4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone has a molecular weight of 481.56 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[[2-(furan-3-yl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone is sourced from PubChem (CID 45488671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).