[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;bis(2,2,2-trifluoroacetic acid)

C34H30F7N5O6 — CID 45488538

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;bis(2,2,2-trifluoroacetic acid)

[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;bis(2,2,2-trifluoroacetic acid) (PubChem CID 45488538) has the molecular formula C34H30F7N5O6 and a molecular weight of 737.63 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;bis(2,2,2-trifluoroacetic acid).

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;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 45488538
• Molecular Formula: C34H30F7N5O6
• Molecular Weight: 737.63 g/mol
• Exact Mass: 737.21
• 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;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2c(-c3ccc(F)cc3)nc3ccccn23)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C30H28FN5O2.2C2HF3O2/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;2*3-2(4,5)1(6)7/h2-13,16,21,32H,14-15,17-19H2,1H3;2*(H,6,7)
• InChIKey: ZYNMTUAQBKDIPH-UHFFFAOYSA-N
• XLogP: 7.33
• TPSA: 150.27 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 52
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	737.63
LogP ≤ 5	7.33
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

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;bis(2,2,2-trifluoroacetic acid)?

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;bis(2,2,2-trifluoroacetic acid) (CID 45488538) 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;bis(2,2,2-trifluoroacetic acid).

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;bis(2,2,2-trifluoroacetic acid)?

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;bis(2,2,2-trifluoroacetic acid) is Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2c(-c3ccc(F)cc3)nc3ccccn23)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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;bis(2,2,2-trifluoroacetic acid)?

The InChIKey is ZYNMTUAQBKDIPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28FN5O2.2C2HF3O2/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;2*3-2(4,5)1(6)7/h2-13,16,21,32H,14-15,17-19H2,1H3;2*(H,6,7).

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;bis(2,2,2-trifluoroacetic acid)?

[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;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 737.63 g/mol, XLogP of 7.33, 6 rotatable bonds, 3 hydrogen bond donors, and 8 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;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 45488538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).