2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

C21H15F3N4O4 — CID 117074803

IUPAC2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc2c(c1)OCC(c1nc3c(-c4ccncc4)cncc3[nH]1)O2
InChIInChI=1S/C19H14N4O2.C2HF3O2/c1-2-4-16-15(3-1)24-11-17(25-16)19-22-14-10-21-9-13(18(14)23-19)12-5-7-20-8-6-12;3-2(4,5)1(6)7/h1-10,17H,11H2,(H,22,23);(H,6,7)
InChIKeyRQODAHIMIVHEAU-UHFFFAOYSA-N
MW444.37 g/mol
LogP4.17
Rot. Bonds2

About 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid

2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (PubChem CID 117074803) has the molecular formula C21H15F3N4O4 and a molecular weight of 444.37 g/mol. Its IUPAC name is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
PubChem CID117074803
Molecular FormulaC21H15F3N4O4
Molecular Weight444.37 g/mol
Exact Mass444.10
IUPAC Name2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc2c(c1)OCC(c1nc3c(-c4ccncc4)cncc3[nH]1)O2
InChIInChI=1S/C19H14N4O2.C2HF3O2/c1-2-4-16-15(3-1)24-11-17(25-16)19-22-14-10-21-9-13(18(14)23-19)12-5-7-20-8-6-12;3-2(4,5)1(6)7/h1-10,17H,11H2,(H,22,23);(H,6,7)
InChIKeyRQODAHIMIVHEAU-UHFFFAOYSA-N
XLogP4.17
TPSA110.22 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid (CID 117074803) is 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc2c(c1)OCC(c1nc3c(-c4ccncc4)cncc3[nH]1)O2.
What is the InChIKey of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
The InChIKey is RQODAHIMIVHEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O2.C2HF3O2/c1-2-4-16-15(3-1)24-11-17(25-16)19-22-14-10-21-9-13(18(14)23-19)12-5-7-20-8-6-12;3-2(4,5)1(6)7/h1-10,17H,11H2,(H,22,23);(H,6,7).
What are the key properties of 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid?
2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid has a molecular weight of 444.37 g/mol, XLogP of 4.17, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydro-1,4-benzodioxin-3-yl)-7-pyridin-4-yl-3H-imidazo[4,5-c]pyridine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 117074803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).