N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide

C21H17FN4O3 — CID 167825007

IUPACN-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCOc1cc(F)cc(NC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)c1
InChIInChI=1S/C21H17FN4O3/c1-26-18-7-14(11-23-19(18)25-21(26)28)12-4-3-5-13(6-12)20(27)24-16-8-15(22)9-17(10-16)29-2/h3-11H,1-2H3,(H,24,27)(H,23,25,28)
InChIKeyGZYNQJKATKXEPW-UHFFFAOYSA-N
MW392.39 g/mol
LogP3.33
Rot. Bonds4

About N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide

N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (PubChem CID 167825007) has the molecular formula C21H17FN4O3 and a molecular weight of 392.39 g/mol. Its IUPAC name is N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.

Molecular Properties

Compound NameN-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
PubChem CID167825007
Molecular FormulaC21H17FN4O3
Molecular Weight392.39 g/mol
Exact Mass392.13
IUPAC NameN-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide
SMILESCOc1cc(F)cc(NC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)c1
InChIInChI=1S/C21H17FN4O3/c1-26-18-7-14(11-23-19(18)25-21(26)28)12-4-3-5-13(6-12)20(27)24-16-8-15(22)9-17(10-16)29-2/h3-11H,1-2H3,(H,24,27)(H,23,25,28)
InChIKeyGZYNQJKATKXEPW-UHFFFAOYSA-N
XLogP3.33
TPSA89.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.39
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The IUPAC name of N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide (CID 167825007) is N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide.
What is the SMILES notation for N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The canonical SMILES for N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is COc1cc(F)cc(NC(=O)c2cccc(-c3cnc4[nH]c(=O)n(C)c4c3)c2)c1.
What is the InChIKey of N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
The InChIKey is GZYNQJKATKXEPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O3/c1-26-18-7-14(11-23-19(18)25-21(26)28)12-4-3-5-13(6-12)20(27)24-16-8-15(22)9-17(10-16)29-2/h3-11H,1-2H3,(H,24,27)(H,23,25,28).
What are the key properties of N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide?
N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide has a molecular weight of 392.39 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoro-5-methoxyphenyl)-3-(1-methyl-2-oxo-3H-imidazo[4,5-b]pyridin-6-yl)benzamide is sourced from PubChem (CID 167825007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).