[4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate

C24H23F3N8O4 — CID 69298095

About [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate

[4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate (PubChem CID 69298095) has the molecular formula C24H23F3N8O4 and a molecular weight of 544.49 g/mol. Its IUPAC name is [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate.

Molecular Properties

• Compound Name: [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate
• PubChem CID: 69298095
• Molecular Formula: C24H23F3N8O4
• Molecular Weight: 544.49 g/mol
• Exact Mass: 544.18
• IUPAC Name: [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate
• SMILES: CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(NC(=O)C3CCN(OC(=O)C(F)(F)F)CC3)c21
• InChI: InChI=1S/C24H23F3N8O4/c1-2-35-19-15(30-22(36)14-8-10-34(11-9-14)38-23(37)24(25,26)27)12-29-16(13-6-4-3-5-7-13)17(19)31-21(35)18-20(28)33-39-32-18/h3-7,12,14H,2,8-11H2,1H3,(H2,28,33)(H,30,36)
• InChIKey: JQJOGWQSHFXNSU-UHFFFAOYSA-N
• XLogP: 3.42
• TPSA: 154.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	544.49
LogP ≤ 5	3.42
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate?

The IUPAC name of [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate (CID 69298095) is [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate.

What is the SMILES notation for [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate?

The canonical SMILES for [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate is CCn1c(-c2nonc2N)nc2c(-c3ccccc3)ncc(NC(=O)C3CCN(OC(=O)C(F)(F)F)CC3)c21.

What is the InChIKey of [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate?

The InChIKey is JQJOGWQSHFXNSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N8O4/c1-2-35-19-15(30-22(36)14-8-10-34(11-9-14)38-23(37)24(25,26)27)12-29-16(13-6-4-3-5-7-13)17(19)31-21(35)18-20(28)33-39-32-18/h3-7,12,14H,2,8-11H2,1H3,(H2,28,33)(H,30,36).

What are the key properties of [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate?

[4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate has a molecular weight of 544.49 g/mol, XLogP of 3.42, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]carbamoyl]piperidin-1-yl] 2,2,2-trifluoroacetate is sourced from PubChem (CID 69298095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).