5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid

C20H21FN4O3 — CID 169077644

IUPAC5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid
SMILESCCc1nc2cc(-c3cc(C(=O)O)c(F)cc3C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C20H21FN4O3/c1-3-17-22-18-9-13(14-11-15(20(26)27)16(21)8-12(14)2)10-19(25(18)23-17)24-4-6-28-7-5-24/h8-11H,3-7H2,1-2H3,(H,26,27)
InChIKeyAWVDAXRWTAAXIK-UHFFFAOYSA-N
MW384.41 g/mol
LogP2.94
Rot. Bonds4

About 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid

5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid (PubChem CID 169077644) has the molecular formula C20H21FN4O3 and a molecular weight of 384.41 g/mol. Its IUPAC name is 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid.

Molecular Properties

Compound Name5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid
PubChem CID169077644
Molecular FormulaC20H21FN4O3
Molecular Weight384.41 g/mol
Exact Mass384.16
IUPAC Name5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid
SMILESCCc1nc2cc(-c3cc(C(=O)O)c(F)cc3C)cc(N3CCOCC3)n2n1
InChIInChI=1S/C20H21FN4O3/c1-3-17-22-18-9-13(14-11-15(20(26)27)16(21)8-12(14)2)10-19(25(18)23-17)24-4-6-28-7-5-24/h8-11H,3-7H2,1-2H3,(H,26,27)
InChIKeyAWVDAXRWTAAXIK-UHFFFAOYSA-N
XLogP2.94
TPSA79.96 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid?
The IUPAC name of 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid (CID 169077644) is 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid.
What is the SMILES notation for 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid?
The canonical SMILES for 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid is CCc1nc2cc(-c3cc(C(=O)O)c(F)cc3C)cc(N3CCOCC3)n2n1.
What is the InChIKey of 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid?
The InChIKey is AWVDAXRWTAAXIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN4O3/c1-3-17-22-18-9-13(14-11-15(20(26)27)16(21)8-12(14)2)10-19(25(18)23-17)24-4-6-28-7-5-24/h8-11H,3-7H2,1-2H3,(H,26,27).
What are the key properties of 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid?
5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid has a molecular weight of 384.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-2-fluoro-4-methylbenzoic acid is sourced from PubChem (CID 169077644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).