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

C32H29F6N5O7 — CID 45488670

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

[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;bis(2,2,2-trifluoroacetic acid) (PubChem CID 45488670) has the molecular formula C32H29F6N5O7 and a molecular weight of 709.60 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;bis(2,2,2-trifluoroacetic acid).

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;bis(2,2,2-trifluoroacetic acid)
• PubChem CID: 45488670
• Molecular Formula: C32H29F6N5O7
• Molecular Weight: 709.60 g/mol
• Exact Mass: 709.20
• 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;bis(2,2,2-trifluoroacetic acid)
• SMILES: Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2c(-c3ccoc3)nc3ccccn23)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H27N5O3.2C2HF3O2/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;2*3-2(4,5)1(6)7/h2-9,12-13,16,18,20,29H,10-11,14-15,17H2,1H3;2*(H,6,7)
• InChIKey: GZIZTPJQPZBGMC-UHFFFAOYSA-N
• XLogP: 6.79
• TPSA: 163.41 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	709.60
LogP ≤ 5	6.79
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

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

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;bis(2,2,2-trifluoroacetic acid) (CID 45488670) 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;bis(2,2,2-trifluoroacetic acid).

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

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;bis(2,2,2-trifluoroacetic acid) is Cc1onc(-c2ccccc2)c1C(=O)N1CCC(CNc2c(-c3ccoc3)nc3ccccn23)CC1.O=C(O)C(F)(F)F.O=C(O)C(F)(F)F.

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

The InChIKey is GZIZTPJQPZBGMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H27N5O3.2C2HF3O2/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;2*3-2(4,5)1(6)7/h2-9,12-13,16,18,20,29H,10-11,14-15,17H2,1H3;2*(H,6,7).

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

[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;bis(2,2,2-trifluoroacetic acid) has a molecular weight of 709.60 g/mol, XLogP of 6.79, 6 rotatable bonds, 3 hydrogen bond donors, and 9 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;bis(2,2,2-trifluoroacetic acid) is sourced from PubChem (CID 45488670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).