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

C30H28FN5O2 — CID 45488539

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

[4-[[[2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (PubChem CID 45488539) has the molecular formula C30H28FN5O2 and a molecular weight of 509.59 g/mol. Its IUPAC name is [4-[[[2-(4-fluorophenyl)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-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone
• PubChem CID: 45488539
• Molecular Formula: C30H28FN5O2
• Molecular Weight: 509.59 g/mol
• Exact Mass: 509.22
• IUPAC Name: [4-[[[2-(4-fluorophenyl)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(-c3ccc(F)cc3)nc3ccccn23)CC1
• InChI: InChI=1S/C30H28FN5O2/c1-20-26(27(34-38-20)22-7-3-2-4-8-22)30(37)35-17-14-21(15-18-35)19-32-29-28(23-10-12-24(31)13-11-23)33-25-9-5-6-16-36(25)29/h2-13,16,21,32H,14-15,17-19H2,1H3
• InChIKey: MNRDIGRKGNYDKE-UHFFFAOYSA-N
• XLogP: 6.07
• TPSA: 75.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.59
LogP ≤ 5	6.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [4-[[[2-(4-fluorophenyl)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-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]amino]methyl]piperidin-1-yl]-(5-methyl-3-phenyl-1,2-oxazol-4-yl)methanone (CID 45488539) is [4-[[[2-(4-fluorophenyl)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-(4-fluorophenyl)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-(4-fluorophenyl)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(-c3ccc(F)cc3)nc3ccccn23)CC1.

What is the InChIKey of [4-[[[2-(4-fluorophenyl)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 MNRDIGRKGNYDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O2/c1-20-26(27(34-38-20)22-7-3-2-4-8-22)30(37)35-17-14-21(15-18-35)19-32-29-28(23-10-12-24(31)13-11-23)33-25-9-5-6-16-36(25)29/h2-13,16,21,32H,14-15,17-19H2,1H3.

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

[4-[[[2-(4-fluorophenyl)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 509.59 g/mol, XLogP of 6.07, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[[2-(4-fluorophenyl)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 45488539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).