[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone

C30H24FN7O2 — CID 57433677

About [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone

[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone (PubChem CID 57433677) has the molecular formula C30H24FN7O2 and a molecular weight of 533.57 g/mol. Its IUPAC name is [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone.

Molecular Properties

• Compound Name: [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone
• PubChem CID: 57433677
• Molecular Formula: C30H24FN7O2
• Molecular Weight: 533.57 g/mol
• Exact Mass: 533.20
• IUPAC Name: [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone
• SMILES: O=C(c1cccc2cccnc12)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1
• InChI: InChI=1S/C30H24FN7O2/c31-21-8-6-20(7-9-21)26-27(38-17-18-40-30(38)36-26)24-10-14-33-29(35-24)34-22-11-15-37(16-12-22)28(39)23-5-1-3-19-4-2-13-32-25(19)23/h1-10,13-14,17-18,22H,11-12,15-16H2,(H,33,34,35)
• InChIKey: GWZDPSOKEVOCRF-UHFFFAOYSA-N
• XLogP: 5.46
• TPSA: 101.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	533.57
LogP ≤ 5	5.46
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone?

The IUPAC name of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone (CID 57433677) is [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone.

What is the SMILES notation for [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone?

The canonical SMILES for [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone is O=C(c1cccc2cccnc12)N1CCC(Nc2nccc(-c3c(-c4ccc(F)cc4)nc4occn34)n2)CC1.

What is the InChIKey of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone?

The InChIKey is GWZDPSOKEVOCRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN7O2/c31-21-8-6-20(7-9-21)26-27(38-17-18-40-30(38)36-26)24-10-14-33-29(35-24)34-22-11-15-37(16-12-22)28(39)23-5-1-3-19-4-2-13-32-25(19)23/h1-10,13-14,17-18,22H,11-12,15-16H2,(H,33,34,35).

What are the key properties of [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone?

[4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone has a molecular weight of 533.57 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[4-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-quinolin-8-ylmethanone is sourced from PubChem (CID 57433677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).