5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide

C23H22N4O4 — CID 130340370

IUPAC5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCOc1ccc(-c2nc3c([nH]c(=O)n3-c3ccccc3OC)c(C(N)=O)c2C)cc1
InChIInChI=1S/C23H22N4O4/c1-4-31-15-11-9-14(10-12-15)19-13(2)18(21(24)28)20-22(25-19)27(23(29)26-20)16-7-5-6-8-17(16)30-3/h5-12H,4H2,1-3H3,(H2,24,28)(H,26,29)
InChIKeySPELQRNAGFCKQN-UHFFFAOYSA-N
MW418.45 g/mol
LogP3.20
Rot. Bonds6

About 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide

5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide (PubChem CID 130340370) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide.

Molecular Properties

Compound Name5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide
PubChem CID130340370
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide
SMILESCCOc1ccc(-c2nc3c([nH]c(=O)n3-c3ccccc3OC)c(C(N)=O)c2C)cc1
InChIInChI=1S/C23H22N4O4/c1-4-31-15-11-9-14(10-12-15)19-13(2)18(21(24)28)20-22(25-19)27(23(29)26-20)16-7-5-6-8-17(16)30-3/h5-12H,4H2,1-3H3,(H2,24,28)(H,26,29)
InChIKeySPELQRNAGFCKQN-UHFFFAOYSA-N
XLogP3.20
TPSA112.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The IUPAC name of 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide (CID 130340370) is 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide.
What is the SMILES notation for 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The canonical SMILES for 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide is CCOc1ccc(-c2nc3c([nH]c(=O)n3-c3ccccc3OC)c(C(N)=O)c2C)cc1.
What is the InChIKey of 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide?
The InChIKey is SPELQRNAGFCKQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O4/c1-4-31-15-11-9-14(10-12-15)19-13(2)18(21(24)28)20-22(25-19)27(23(29)26-20)16-7-5-6-8-17(16)30-3/h5-12H,4H2,1-3H3,(H2,24,28)(H,26,29).
What are the key properties of 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide?
5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide has a molecular weight of 418.45 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxyphenyl)-3-(2-methoxyphenyl)-6-methyl-2-oxo-1H-imidazo[4,5-b]pyridine-7-carboxamide is sourced from PubChem (CID 130340370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).