2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid

C23H14F2N4O2 — CID 71767189

IUPAC2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid
SMILESO=C(O)c1c(F)cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C23H14F2N4O2/c24-16-9-15(10-17(25)21(16)23(30)31)19-5-6-20-22(28-19)29(12-27-20)11-13-3-4-18-14(8-13)2-1-7-26-18/h1-10,12H,11H2,(H,30,31)
InChIKeyLXHNRPXNNMAFTI-UHFFFAOYSA-N
MW416.39 g/mol
LogP4.67
Rot. Bonds4

About 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid

2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid (PubChem CID 71767189) has the molecular formula C23H14F2N4O2 and a molecular weight of 416.39 g/mol. Its IUPAC name is 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid.

Molecular Properties

Compound Name2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid
PubChem CID71767189
Molecular FormulaC23H14F2N4O2
Molecular Weight416.39 g/mol
Exact Mass416.11
IUPAC Name2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid
SMILESO=C(O)c1c(F)cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C23H14F2N4O2/c24-16-9-15(10-17(25)21(16)23(30)31)19-5-6-20-22(28-19)29(12-27-20)11-13-3-4-18-14(8-13)2-1-7-26-18/h1-10,12H,11H2,(H,30,31)
InChIKeyLXHNRPXNNMAFTI-UHFFFAOYSA-N
XLogP4.67
TPSA80.90 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 54.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid?
The IUPAC name of 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid (CID 71767189) is 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid.
What is the SMILES notation for 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid?
The canonical SMILES for 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid is O=C(O)c1c(F)cc(-c2ccc3ncn(Cc4ccc5ncccc5c4)c3n2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid?
The InChIKey is LXHNRPXNNMAFTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14F2N4O2/c24-16-9-15(10-17(25)21(16)23(30)31)19-5-6-20-22(28-19)29(12-27-20)11-13-3-4-18-14(8-13)2-1-7-26-18/h1-10,12H,11H2,(H,30,31).
What are the key properties of 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid?
2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid has a molecular weight of 416.39 g/mol, XLogP of 4.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[3-(quinolin-6-ylmethyl)imidazo[4,5-b]pyridin-5-yl]benzoic acid is sourced from PubChem (CID 71767189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).