2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid

C32H24F3N3O4 — CID 66775296

IUPAC2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(COc2cc(OCc3cccc4ccccc34)cc(-c3nc4ncccc4[nH]3)c2)cc1
InChIInChI=1S/C30H23N3O2.C2HF3O2/c1-2-8-21(9-3-1)19-34-25-16-24(29-32-28-14-7-15-31-30(28)33-29)17-26(18-25)35-20-23-12-6-11-22-10-4-5-13-27(22)23;3-2(4,5)1(6)7/h1-18H,19-20H2,(H,31,32,33);(H,6,7)
InChIKeyVZLSBICSAMQWMK-UHFFFAOYSA-N
MW571.56 g/mol
LogP7.57
Rot. Bonds7

About 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid

2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 66775296) has the molecular formula C32H24F3N3O4 and a molecular weight of 571.56 g/mol. Its IUPAC name is 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
PubChem CID66775296
Molecular FormulaC32H24F3N3O4
Molecular Weight571.56 g/mol
Exact Mass571.17
IUPAC Name2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(COc2cc(OCc3cccc4ccccc34)cc(-c3nc4ncccc4[nH]3)c2)cc1
InChIInChI=1S/C30H23N3O2.C2HF3O2/c1-2-8-21(9-3-1)19-34-25-16-24(29-32-28-14-7-15-31-30(28)33-29)17-26(18-25)35-20-23-12-6-11-22-10-4-5-13-27(22)23;3-2(4,5)1(6)7/h1-18H,19-20H2,(H,31,32,33);(H,6,7)
InChIKeyVZLSBICSAMQWMK-UHFFFAOYSA-N
XLogP7.57
TPSA97.33 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500571.56
LogP ≤ 57.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid (CID 66775296) is 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(COc2cc(OCc3cccc4ccccc34)cc(-c3nc4ncccc4[nH]3)c2)cc1.
What is the InChIKey of 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is VZLSBICSAMQWMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N3O2.C2HF3O2/c1-2-8-21(9-3-1)19-34-25-16-24(29-32-28-14-7-15-31-30(28)33-29)17-26(18-25)35-20-23-12-6-11-22-10-4-5-13-27(22)23;3-2(4,5)1(6)7/h1-18H,19-20H2,(H,31,32,33);(H,6,7).
What are the key properties of 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid?
2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 571.56 g/mol, XLogP of 7.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66775296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).