6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one

C23H20F2N4O2 — CID 165401184

IUPAC6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one
SMILESCOc1cc(F)cc(C2CCc3nc(-c4[nH]c5ccc(F)cc5c(=O)c4C)nn3C2)c1
InChIInChI=1S/C23H20F2N4O2/c1-12-21(26-19-5-4-15(24)10-18(19)22(12)30)23-27-20-6-3-13(11-29(20)28-23)14-7-16(25)9-17(8-14)31-2/h4-5,7-10,13H,3,6,11H2,1-2H3,(H,26,30)
InChIKeySGVZLILNVGMOGH-UHFFFAOYSA-N
MW422.44 g/mol
LogP4.11
Rot. Bonds3

About 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one

6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one (PubChem CID 165401184) has the molecular formula C23H20F2N4O2 and a molecular weight of 422.44 g/mol. Its IUPAC name is 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one.

Molecular Properties

Compound Name6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one
PubChem CID165401184
Molecular FormulaC23H20F2N4O2
Molecular Weight422.44 g/mol
Exact Mass422.16
IUPAC Name6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one
SMILESCOc1cc(F)cc(C2CCc3nc(-c4[nH]c5ccc(F)cc5c(=O)c4C)nn3C2)c1
InChIInChI=1S/C23H20F2N4O2/c1-12-21(26-19-5-4-15(24)10-18(19)22(12)30)23-27-20-6-3-13(11-29(20)28-23)14-7-16(25)9-17(8-14)31-2/h4-5,7-10,13H,3,6,11H2,1-2H3,(H,26,30)
InChIKeySGVZLILNVGMOGH-UHFFFAOYSA-N
XLogP4.11
TPSA72.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.44
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one?
The IUPAC name of 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one (CID 165401184) is 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one.
What is the SMILES notation for 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one?
The canonical SMILES for 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one is COc1cc(F)cc(C2CCc3nc(-c4[nH]c5ccc(F)cc5c(=O)c4C)nn3C2)c1.
What is the InChIKey of 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one?
The InChIKey is SGVZLILNVGMOGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20F2N4O2/c1-12-21(26-19-5-4-15(24)10-18(19)22(12)30)23-27-20-6-3-13(11-29(20)28-23)14-7-16(25)9-17(8-14)31-2/h4-5,7-10,13H,3,6,11H2,1-2H3,(H,26,30).
What are the key properties of 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one?
6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one has a molecular weight of 422.44 g/mol, XLogP of 4.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-[6-(3-fluoro-5-methoxyphenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-3-methyl-1H-quinolin-4-one is sourced from PubChem (CID 165401184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).