6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide

C23H21FN4O6 — CID 155518568

IUPAC6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc3c([nH]c(=O)n3-c3cc(OC)c(OC)c(OC)c3)c(C(N)=O)n2)cc1F
InChIInChI=1S/C23H21FN4O6/c1-31-16-6-5-11(7-13(16)24)14-10-15-19(20(26-14)22(25)29)27-23(30)28(15)12-8-17(32-2)21(34-4)18(9-12)33-3/h5-10H,1-4H3,(H2,25,29)(H,27,30)
InChIKeyLBIRIAVDULXXLF-UHFFFAOYSA-N
MW468.44 g/mol
LogP2.65
Rot. Bonds7

About 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide

6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 155518568) has the molecular formula C23H21FN4O6 and a molecular weight of 468.44 g/mol. Its IUPAC name is 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide
PubChem CID155518568
Molecular FormulaC23H21FN4O6
Molecular Weight468.44 g/mol
Exact Mass468.14
IUPAC Name6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide
SMILESCOc1ccc(-c2cc3c([nH]c(=O)n3-c3cc(OC)c(OC)c(OC)c3)c(C(N)=O)n2)cc1F
InChIInChI=1S/C23H21FN4O6/c1-31-16-6-5-11(7-13(16)24)14-10-15-19(20(26-14)22(25)29)27-23(30)28(15)12-8-17(32-2)21(34-4)18(9-12)33-3/h5-10H,1-4H3,(H2,25,29)(H,27,30)
InChIKeyLBIRIAVDULXXLF-UHFFFAOYSA-N
XLogP2.65
TPSA130.69 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.44
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide?
The IUPAC name of 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide (CID 155518568) is 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide.
What is the SMILES notation for 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide?
The canonical SMILES for 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide is COc1ccc(-c2cc3c([nH]c(=O)n3-c3cc(OC)c(OC)c(OC)c3)c(C(N)=O)n2)cc1F.
What is the InChIKey of 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide?
The InChIKey is LBIRIAVDULXXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O6/c1-31-16-6-5-11(7-13(16)24)14-10-15-19(20(26-14)22(25)29)27-23(30)28(15)12-8-17(32-2)21(34-4)18(9-12)33-3/h5-10H,1-4H3,(H2,25,29)(H,27,30).
What are the key properties of 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide?
6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 468.44 g/mol, XLogP of 2.65, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-fluoro-4-methoxyphenyl)-2-oxo-1-(3,4,5-trimethoxyphenyl)-3H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 155518568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).