2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid

C29H22F3N3O6 — CID 66776090

IUPAC2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1cnc2nc(-c3ccc(OCc4ccccc4)cc3OCc3ccccc3)[nH]c2c1
InChIInChI=1S/C27H21N3O4.C2HF3O2/c31-27(32)20-13-23-26(28-15-20)30-25(29-23)22-12-11-21(33-16-18-7-3-1-4-8-18)14-24(22)34-17-19-9-5-2-6-10-19;3-2(4,5)1(6)7/h1-15H,16-17H2,(H,31,32)(H,28,29,30);(H,6,7)
InChIKeyQYPJXTVVAOFGFH-UHFFFAOYSA-N
MW565.50 g/mol
LogP6.11
Rot. Bonds8

About 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid

2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid (PubChem CID 66776090) has the molecular formula C29H22F3N3O6 and a molecular weight of 565.50 g/mol. Its IUPAC name is 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid
PubChem CID66776090
Molecular FormulaC29H22F3N3O6
Molecular Weight565.50 g/mol
Exact Mass565.15
IUPAC Name2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.O=C(O)c1cnc2nc(-c3ccc(OCc4ccccc4)cc3OCc3ccccc3)[nH]c2c1
InChIInChI=1S/C27H21N3O4.C2HF3O2/c31-27(32)20-13-23-26(28-15-20)30-25(29-23)22-12-11-21(33-16-18-7-3-1-4-8-18)14-24(22)34-17-19-9-5-2-6-10-19;3-2(4,5)1(6)7/h1-15H,16-17H2,(H,31,32)(H,28,29,30);(H,6,7)
InChIKeyQYPJXTVVAOFGFH-UHFFFAOYSA-N
XLogP6.11
TPSA134.63 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.50
LogP ≤ 56.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

2-[5-phenylmethoxy-2-(pyridin-3-ylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine;bis(2,2,2-trifluoroacetic acid)
CID 87145898
6-(2,6-dimethylphenyl)-2-(4-phenylmethoxy-2-propan-2-yloxyphenyl)-1H-imidazo[4,5-b]pyridine
CID 59243146
2-(2-methylphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821514
2-(4-ethoxyphenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796070
2-(2-methylfuran-3-yl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820942
2-(3-chloro-2-fluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820856
2-[3-(naphthalen-1-ylmethoxy)-5-phenylmethoxyphenyl]-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 66775296
2-pyridin-2-yl-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82821320
2-(4-chloro-2,5-difluorophenyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82796397
2-(2,2,2-trifluoroethyl)-1H-imidazo[4,5-b]pyridine-6-carboxylic acid
CID 82820568
5-[2,4-bis(phenylmethoxy)phenyl]-2H-tetrazole;hydrate
CID 22010194
3,5-bis(phenylmethoxy)pyridine-2-carboxylic acid
CID 53487995

Frequently Asked Questions

What is the IUPAC name of 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid (CID 66776090) is 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(O)c1cnc2nc(-c3ccc(OCc4ccccc4)cc3OCc3ccccc3)[nH]c2c1.
What is the InChIKey of 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid?
The InChIKey is QYPJXTVVAOFGFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21N3O4.C2HF3O2/c31-27(32)20-13-23-26(28-15-20)30-25(29-23)22-12-11-21(33-16-18-7-3-1-4-8-18)14-24(22)34-17-19-9-5-2-6-10-19;3-2(4,5)1(6)7/h1-15H,16-17H2,(H,31,32)(H,28,29,30);(H,6,7).
What are the key properties of 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid?
2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid has a molecular weight of 565.50 g/mol, XLogP of 6.11, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,4-bis(phenylmethoxy)phenyl]-1H-imidazo[4,5-b]pyridine-6-carboxylic acid;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 66776090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).