4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide

C23H21FN4O3 — CID 155519118

IUPAC4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3cc(F)ccc3OC)cn3c(C)nnc23)cc1
InChIInChI=1S/C23H21FN4O3/c1-4-31-18-8-5-15(6-9-18)23(29)25-20-11-16(13-28-14(2)26-27-22(20)28)19-12-17(24)7-10-21(19)30-3/h5-13H,4H2,1-3H3,(H,25,29)
InChIKeyUPVDVLVLDRHLRA-UHFFFAOYSA-N
MW420.44 g/mol
LogP4.50
Rot. Bonds6

About 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide

4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide (PubChem CID 155519118) has the molecular formula C23H21FN4O3 and a molecular weight of 420.44 g/mol. Its IUPAC name is 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide.

Molecular Properties

Compound Name4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide
PubChem CID155519118
Molecular FormulaC23H21FN4O3
Molecular Weight420.44 g/mol
Exact Mass420.16
IUPAC Name4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide
SMILESCCOc1ccc(C(=O)Nc2cc(-c3cc(F)ccc3OC)cn3c(C)nnc23)cc1
InChIInChI=1S/C23H21FN4O3/c1-4-31-18-8-5-15(6-9-18)23(29)25-20-11-16(13-28-14(2)26-27-22(20)28)19-12-17(24)7-10-21(19)30-3/h5-13H,4H2,1-3H3,(H,25,29)
InChIKeyUPVDVLVLDRHLRA-UHFFFAOYSA-N
XLogP4.50
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.44
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide with MolForge

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Related Compounds

N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide
CID 155544713
N-(3-ethoxy-4-methoxyphenyl)-4-fluorobenzamide
CID 60794299
N-(2,4-difluorophenyl)-3,4-dimethoxybenzamide
CID 966752
3-(4-ethoxyphenyl)-N-(2-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856755
3,5-diethoxy-N-[2-methoxy-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 17066361
4-ethoxy-N-[2-methyl-5-(3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)phenyl]benzamide
CID 1017646
methyl 4-[(2-ethoxy-4-fluorophenyl)carbamoyl]benzoate
CID 87006117
N-(1,3-dimethylpyrazol-4-yl)-4-ethoxybenzamide
CID 19346026
4-(4-ethoxyphenyl)-N-[4-(5-fluoro-2-methoxyphenyl)-1,3-thiazol-2-yl]-4-oxobutanamide
CID 78878927
3,4-diethoxy-N-(2-methoxyphenyl)benzamide
CID 669527
N-[(Z)-1-(3,4-dimethoxyphenyl)ethylideneamino]-4-ethoxybenzamide
CID 6180657
N-[2-(4-ethoxyphenoxy)phenyl]-4-methylbenzamide
CID 7925397

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide?
The IUPAC name of 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide (CID 155519118) is 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide.
What is the SMILES notation for 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide?
The canonical SMILES for 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide is CCOc1ccc(C(=O)Nc2cc(-c3cc(F)ccc3OC)cn3c(C)nnc23)cc1.
What is the InChIKey of 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide?
The InChIKey is UPVDVLVLDRHLRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN4O3/c1-4-31-18-8-5-15(6-9-18)23(29)25-20-11-16(13-28-14(2)26-27-22(20)28)19-12-17(24)7-10-21(19)30-3/h5-13H,4H2,1-3H3,(H,25,29).
What are the key properties of 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide?
4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide has a molecular weight of 420.44 g/mol, XLogP of 4.50, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide is sourced from PubChem (CID 155519118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).