methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate

C19H20FN5O3 — CID 169077757

IUPACmethyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate
SMILESCOC(=O)c1cc(-c2cc(N3CCOCC3)c3nc(N)nn3c2)c(C)cc1F
InChIInChI=1S/C19H20FN5O3/c1-11-7-15(20)14(18(26)27-2)9-13(11)12-8-16(24-3-5-28-6-4-24)17-22-19(21)23-25(17)10-12/h7-10H,3-6H2,1-2H3,(H2,21,23)
InChIKeyQTJVLMBQBRLHGT-UHFFFAOYSA-N
MW385.40 g/mol
LogP2.05
Rot. Bonds3

About methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate

methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate (PubChem CID 169077757) has the molecular formula C19H20FN5O3 and a molecular weight of 385.40 g/mol. Its IUPAC name is methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate.

Molecular Properties

Compound Namemethyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate
PubChem CID169077757
Molecular FormulaC19H20FN5O3
Molecular Weight385.40 g/mol
Exact Mass385.16
IUPAC Namemethyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate
SMILESCOC(=O)c1cc(-c2cc(N3CCOCC3)c3nc(N)nn3c2)c(C)cc1F
InChIInChI=1S/C19H20FN5O3/c1-11-7-15(20)14(18(26)27-2)9-13(11)12-8-16(24-3-5-28-6-4-24)17-22-19(21)23-25(17)10-12/h7-10H,3-6H2,1-2H3,(H2,21,23)
InChIKeyQTJVLMBQBRLHGT-UHFFFAOYSA-N
XLogP2.05
TPSA94.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate?
The IUPAC name of methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate (CID 169077757) is methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate.
What is the SMILES notation for methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate?
The canonical SMILES for methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate is COC(=O)c1cc(-c2cc(N3CCOCC3)c3nc(N)nn3c2)c(C)cc1F.
What is the InChIKey of methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate?
The InChIKey is QTJVLMBQBRLHGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN5O3/c1-11-7-15(20)14(18(26)27-2)9-13(11)12-8-16(24-3-5-28-6-4-24)17-22-19(21)23-25(17)10-12/h7-10H,3-6H2,1-2H3,(H2,21,23).
What are the key properties of methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate?
methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate has a molecular weight of 385.40 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(2-amino-8-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-2-fluoro-4-methylbenzoate is sourced from PubChem (CID 169077757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).