N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide

C23H20ClFN4O2 — CID 155544713

IUPACN-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide
SMILESCCCOc1ccc(Cl)cc1-c1cc(NC(=O)c2ccccc2F)c2nnc(C)n2c1
InChIInChI=1S/C23H20ClFN4O2/c1-3-10-31-21-9-8-16(24)12-18(21)15-11-20(22-28-27-14(2)29(22)13-15)26-23(30)17-6-4-5-7-19(17)25/h4-9,11-13H,3,10H2,1-2H3,(H,26,30)
InChIKeyHKNREDHJXUSFLR-UHFFFAOYSA-N
MW438.89 g/mol
LogP5.54
Rot. Bonds6

About N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide

N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide (PubChem CID 155544713) has the molecular formula C23H20ClFN4O2 and a molecular weight of 438.89 g/mol. Its IUPAC name is N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide.

Molecular Properties

Compound NameN-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide
PubChem CID155544713
Molecular FormulaC23H20ClFN4O2
Molecular Weight438.89 g/mol
Exact Mass438.13
IUPAC NameN-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide
SMILESCCCOc1ccc(Cl)cc1-c1cc(NC(=O)c2ccccc2F)c2nnc(C)n2c1
InChIInChI=1S/C23H20ClFN4O2/c1-3-10-31-21-9-8-16(24)12-18(21)15-11-20(22-28-27-14(2)29(22)13-15)26-23(30)17-6-4-5-7-19(17)25/h4-9,11-13H,3,10H2,1-2H3,(H,26,30)
InChIKeyHKNREDHJXUSFLR-UHFFFAOYSA-N
XLogP5.54
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500438.89
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-ethoxy-N-[6-(5-fluoro-2-methoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]benzamide
CID 155519118
N-(5-chloro-2-propoxyphenyl)-6-fluoropyridine-2-carboxamide
CID 115496886
3-fluoro-N-(2-propoxyphenyl)pyridine-4-carboxamide
CID 115645463
N-(2-butoxy-5-methoxyphenyl)-4-chloro-2-fluorobenzamide
CID 35363899
5-chloro-2-propoxybenzoyl chloride
CID 12863236
5-bromo-N-(2,4-dichlorophenyl)-2-propoxybenzamide
CID 17351367
N-[4-[(5-chloro-2-methoxyphenyl)carbamoylamino]phenyl]-2-fluorobenzamide
CID 141024299
5-chloro-2-methoxy-N-[2-[(5-phenyl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]benzamide
CID 45013631
2-chloro-6-fluoro-N-(2-propoxyphenyl)benzamide
CID 17395083
3-chloro-N-(5-chloro-2-propoxyphenyl)pyridine-4-carboxamide
CID 66462452
4-amino-N-(5-chloro-2-propoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65354625
5-chloro-2-methoxy-N-[2-(2-methoxyphenoxy)ethyl]benzamide
CID 43009457

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide?
The IUPAC name of N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide (CID 155544713) is N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide.
What is the SMILES notation for N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide?
The canonical SMILES for N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide is CCCOc1ccc(Cl)cc1-c1cc(NC(=O)c2ccccc2F)c2nnc(C)n2c1.
What is the InChIKey of N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide?
The InChIKey is HKNREDHJXUSFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClFN4O2/c1-3-10-31-21-9-8-16(24)12-18(21)15-11-20(22-28-27-14(2)29(22)13-15)26-23(30)17-6-4-5-7-19(17)25/h4-9,11-13H,3,10H2,1-2H3,(H,26,30).
What are the key properties of N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide?
N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide has a molecular weight of 438.89 g/mol, XLogP of 5.54, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-chloro-2-propoxyphenyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl]-2-fluorobenzamide is sourced from PubChem (CID 155544713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).