6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one

C22H20FN3O5 — CID 155562950

IUPAC6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C22H20FN3O5/c1-28-18-6-5-12(7-14(18)23)15-10-17-16(11-24-15)25-22(27)26(17)13-8-19(29-2)21(31-4)20(9-13)30-3/h5-11H,1-4H3,(H,25,27)
InChIKeyXCJDKERLYLYPEX-UHFFFAOYSA-N
MW425.42 g/mol
LogP3.55
Rot. Bonds6

About 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one

6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one (PubChem CID 155562950) has the molecular formula C22H20FN3O5 and a molecular weight of 425.42 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
PubChem CID155562950
Molecular FormulaC22H20FN3O5
Molecular Weight425.42 g/mol
Exact Mass425.14
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one
SMILESCOc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1F
InChIInChI=1S/C22H20FN3O5/c1-28-18-6-5-12(7-14(18)23)15-10-17-16(11-24-15)25-22(27)26(17)13-8-19(29-2)21(31-4)20(9-13)30-3/h5-11H,1-4H3,(H,25,27)
InChIKeyXCJDKERLYLYPEX-UHFFFAOYSA-N
XLogP3.55
TPSA87.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.42
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one (CID 155562950) is 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one is COc1ccc(-c2cc3c(cn2)[nH]c(=O)n3-c2cc(OC)c(OC)c(OC)c2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is XCJDKERLYLYPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O5/c1-28-18-6-5-12(7-14(18)23)15-10-17-16(11-24-15)25-22(27)26(17)13-8-19(29-2)21(31-4)20(9-13)30-3/h5-11H,1-4H3,(H,25,27).
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one?
6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 425.42 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 155562950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).