ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate

C23H27N3O4 — CID 58208972

IUPACethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate
SMILESCCCCc1cc(OCc2ccccc2)c(C(=O)CCC(=O)OCC)c2ncnn12
InChIInChI=1S/C23H27N3O4/c1-3-5-11-18-14-20(30-15-17-9-7-6-8-10-17)22(23-24-16-25-26(18)23)19(27)12-13-21(28)29-4-2/h6-10,14,16H,3-5,11-13,15H2,1-2H3
InChIKeyVPUHRHABVBOTIH-UHFFFAOYSA-N
MW409.49 g/mol
LogP4.18
Rot. Bonds11

About ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate

ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate (PubChem CID 58208972) has the molecular formula C23H27N3O4 and a molecular weight of 409.49 g/mol. Its IUPAC name is ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate.

Molecular Properties

Compound Nameethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate
PubChem CID58208972
Molecular FormulaC23H27N3O4
Molecular Weight409.49 g/mol
Exact Mass409.20
IUPAC Nameethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate
SMILESCCCCc1cc(OCc2ccccc2)c(C(=O)CCC(=O)OCC)c2ncnn12
InChIInChI=1S/C23H27N3O4/c1-3-5-11-18-14-20(30-15-17-9-7-6-8-10-17)22(23-24-16-25-26(18)23)19(27)12-13-21(28)29-4-2/h6-10,14,16H,3-5,11-13,15H2,1-2H3
InChIKeyVPUHRHABVBOTIH-UHFFFAOYSA-N
XLogP4.18
TPSA82.79 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate with MolForge

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Related Compounds

propyl 5-butyl-6-chloro-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 163648454
ethyl 2-[2-nonanoyl-3,4,5-tris(phenylmethoxy)phenyl]acetate
CID 141184839
2-[2-pentanoyl-3,5-bis(phenylmethoxy)phenyl]acetic acid
CID 141320094
ethyl 5,6-diiodo-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate;ethyl 7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 158052131
ethyl 6-chloro-5-iodo-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylate
CID 58208939
ethyl 4-[5-(4-methylphenoxy)-2-phenylmethoxyphenyl]-4-oxobutanoate
CID 162742859
ethyl 3-[3-[tert-butyl(dimethyl)silyl]oxy-4-phenylmethoxyphenyl]propanoate
CID 11304558
ethyl 2-[[5-(2-cyclohexa-2,4-dien-1-ylethynyl)-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridine-8-carbonyl]amino]acetate
CID 67612163
ethyl 2-[3,5-bis(phenylmethoxy)-2-propanoylphenyl]acetate
CID 141184311
4-O-benzyl 1-O-octyl butanedioate
CID 528266
ethyl 4-[5-(2-chlorophenoxy)-2-phenylmethoxyphenyl]-4-oxobutanoate
CID 162742813
ditert-butyl 4-[3-[(2-methylpropan-2-yl)oxy]-3-oxopropyl]-4-[[2-(8-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-5-yl)acetyl]amino]heptanedioate
CID 164941106

Frequently Asked Questions

What is the IUPAC name of ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate?
The IUPAC name of ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate (CID 58208972) is ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate.
What is the SMILES notation for ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate?
The canonical SMILES for ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate is CCCCc1cc(OCc2ccccc2)c(C(=O)CCC(=O)OCC)c2ncnn12.
What is the InChIKey of ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate?
The InChIKey is VPUHRHABVBOTIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4/c1-3-5-11-18-14-20(30-15-17-9-7-6-8-10-17)22(23-24-16-25-26(18)23)19(27)12-13-21(28)29-4-2/h6-10,14,16H,3-5,11-13,15H2,1-2H3.
What are the key properties of ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate?
ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate has a molecular weight of 409.49 g/mol, XLogP of 4.18, 11 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(5-butyl-7-phenylmethoxy-[1,2,4]triazolo[1,5-a]pyridin-8-yl)-4-oxobutanoate is sourced from PubChem (CID 58208972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).