2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one

C23H17FN4O2 — CID 166056960

IUPAC2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one
SMILESCOc1cc(F)cc(-c2ccc3nc(-c4[nH]c5ccccc5c(=O)c4C)nn3c2)c1
InChIInChI=1S/C23H17FN4O2/c1-13-21(25-19-6-4-3-5-18(19)22(13)29)23-26-20-8-7-14(12-28(20)27-23)15-9-16(24)11-17(10-15)30-2/h3-12H,1-2H3,(H,25,29)
InChIKeyHIZFDYYFWRLQEH-UHFFFAOYSA-N
MW400.41 g/mol
LogP4.36
Rot. Bonds3

About 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one

2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one (PubChem CID 166056960) has the molecular formula C23H17FN4O2 and a molecular weight of 400.41 g/mol. Its IUPAC name is 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one
PubChem CID166056960
Molecular FormulaC23H17FN4O2
Molecular Weight400.41 g/mol
Exact Mass400.13
IUPAC Name2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one
SMILESCOc1cc(F)cc(-c2ccc3nc(-c4[nH]c5ccccc5c(=O)c4C)nn3c2)c1
InChIInChI=1S/C23H17FN4O2/c1-13-21(25-19-6-4-3-5-18(19)22(13)29)23-26-20-8-7-14(12-28(20)27-23)15-9-16(24)11-17(10-15)30-2/h3-12H,1-2H3,(H,25,29)
InChIKeyHIZFDYYFWRLQEH-UHFFFAOYSA-N
XLogP4.36
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one (CID 166056960) is 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one is COc1cc(F)cc(-c2ccc3nc(-c4[nH]c5ccccc5c(=O)c4C)nn3c2)c1.
What is the InChIKey of 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one?
The InChIKey is HIZFDYYFWRLQEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17FN4O2/c1-13-21(25-19-6-4-3-5-18(19)22(13)29)23-26-20-8-7-14(12-28(20)27-23)15-9-16(24)11-17(10-15)30-2/h3-12H,1-2H3,(H,25,29).
What are the key properties of 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one?
2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one has a molecular weight of 400.41 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-fluoro-5-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 166056960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).