[4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid

C26H27F6N5O5 — CID 174174133

About [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid

[4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid (PubChem CID 174174133) has the molecular formula C26H27F6N5O5 and a molecular weight of 603.52 g/mol. Its IUPAC name is [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid
• PubChem CID: 174174133
• Molecular Formula: C26H27F6N5O5
• Molecular Weight: 603.52 g/mol
• Exact Mass: 603.19
• IUPAC Name: [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid
• SMILES: NC1(c2nc3nccc(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c3[nH]2)CCOCC1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C24H26F3N5O3.C2HF3O2/c25-24(26,27)35-17-3-1-16(2-4-17)21(33)32-11-6-15(7-12-32)18-5-10-29-20-19(18)30-22(31-20)23(28)8-13-34-14-9-23;3-2(4,5)1(6)7/h1-5,10,15H,6-9,11-14,28H2,(H,29,30,31);(H,6,7)
• InChIKey: XBRVTRZCYMLSKL-UHFFFAOYSA-N
• XLogP: 4.47
• TPSA: 143.66 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	603.52
LogP ≤ 5	4.47
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid (CID 174174133) is [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid is NC1(c2nc3nccc(C4CCN(C(=O)c5ccc(OC(F)(F)F)cc5)CC4)c3[nH]2)CCOCC1.O=C(O)C(F)(F)F.

What is the InChIKey of [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid?

The InChIKey is XBRVTRZCYMLSKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F3N5O3.C2HF3O2/c25-24(26,27)35-17-3-1-16(2-4-17)21(33)32-11-6-15(7-12-32)18-5-10-29-20-19(18)30-22(31-20)23(28)8-13-34-14-9-23;3-2(4,5)1(6)7/h1-5,10,15H,6-9,11-14,28H2,(H,29,30,31);(H,6,7).

What are the key properties of [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid?

[4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid has a molecular weight of 603.52 g/mol, XLogP of 4.47, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[2-(4-aminooxan-4-yl)-1H-imidazo[4,5-b]pyridin-7-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 174174133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).