6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

C27H23FN4O2 — CID 10288407

IUPAC6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(OCc5ccccc5)c(F)c4)cc3[nH]2)c1
InChIInChI=1S/C27H23FN4O2/c1-33-22-11-12-29-21(15-22)8-10-26-31-24-14-20(16-30-27(24)32-26)19-7-9-25(23(28)13-19)34-17-18-5-3-2-4-6-18/h2-7,9,11-16H,8,10,17H2,1H3,(H,30,31,32)
InChIKeyZUZYUYISVDZDRI-UHFFFAOYSA-N
MW454.51 g/mol
LogP5.53
Rot. Bonds8

About 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine

6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 10288407) has the molecular formula C27H23FN4O2 and a molecular weight of 454.51 g/mol. Its IUPAC name is 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
PubChem CID10288407
Molecular FormulaC27H23FN4O2
Molecular Weight454.51 g/mol
Exact Mass454.18
IUPAC Name6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccnc(CCc2nc3ncc(-c4ccc(OCc5ccccc5)c(F)c4)cc3[nH]2)c1
InChIInChI=1S/C27H23FN4O2/c1-33-22-11-12-29-21(15-22)8-10-26-31-24-14-20(16-30-27(24)32-26)19-7-9-25(23(28)13-19)34-17-18-5-3-2-4-6-18/h2-7,9,11-16H,8,10,17H2,1H3,(H,30,31,32)
InChIKeyZUZYUYISVDZDRI-UHFFFAOYSA-N
XLogP5.53
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.51
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine (CID 10288407) is 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is COc1ccnc(CCc2nc3ncc(-c4ccc(OCc5ccccc5)c(F)c4)cc3[nH]2)c1.
What is the InChIKey of 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is ZUZYUYISVDZDRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23FN4O2/c1-33-22-11-12-29-21(15-22)8-10-26-31-24-14-20(16-30-27(24)32-26)19-7-9-25(23(28)13-19)34-17-18-5-3-2-4-6-18/h2-7,9,11-16H,8,10,17H2,1H3,(H,30,31,32).
What are the key properties of 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine?
6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 454.51 g/mol, XLogP of 5.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-phenylmethoxyphenyl)-2-[2-(4-methoxy-2-pyridinyl)ethyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 10288407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).