methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate

C24H23N5O4 — CID 143929924

IUPACmethyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(-c3cccc4nc(NC(=O)C(C)C)nn34)cc2)nc1
InChIInChI=1S/C24H23N5O4/c1-15(2)22(30)27-24-26-21-6-4-5-20(29(21)28-24)16-8-11-19(12-9-16)33-14-18-10-7-17(13-25-18)23(31)32-3/h4-13,15H,14H2,1-3H3,(H,27,28,30)
InChIKeyMMELRLLTOYWCJC-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.75
Rot. Bonds7

About methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate

methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate (PubChem CID 143929924) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate
PubChem CID143929924
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Namemethyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate
SMILESCOC(=O)c1ccc(COc2ccc(-c3cccc4nc(NC(=O)C(C)C)nn34)cc2)nc1
InChIInChI=1S/C24H23N5O4/c1-15(2)22(30)27-24-26-21-6-4-5-20(29(21)28-24)16-8-11-19(12-9-16)33-14-18-10-7-17(13-25-18)23(31)32-3/h4-13,15H,14H2,1-3H3,(H,27,28,30)
InChIKeyMMELRLLTOYWCJC-UHFFFAOYSA-N
XLogP3.75
TPSA107.71 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate?
The IUPAC name of methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate (CID 143929924) is methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate is COC(=O)c1ccc(COc2ccc(-c3cccc4nc(NC(=O)C(C)C)nn34)cc2)nc1.
What is the InChIKey of methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate?
The InChIKey is MMELRLLTOYWCJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-15(2)22(30)27-24-26-21-6-4-5-20(29(21)28-24)16-8-11-19(12-9-16)33-14-18-10-7-17(13-25-18)23(31)32-3/h4-13,15H,14H2,1-3H3,(H,27,28,30).
What are the key properties of methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate?
methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate has a molecular weight of 445.48 g/mol, XLogP of 3.75, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-[[4-[2-(2-methylpropanoylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenoxy]methyl]pyridine-3-carboxylate is sourced from PubChem (CID 143929924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).