ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate

C20H23N5O3 — CID 46097541

IUPACethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(-c3ccc(OC)cc3)cnc3ncnn23)CC1
InChIInChI=1S/C20H23N5O3/c1-3-28-19(26)15-8-10-24(11-9-15)18-17(12-21-20-22-13-23-25(18)20)14-4-6-16(27-2)7-5-14/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyBDRJJEVUSBXFJV-UHFFFAOYSA-N
MW381.44 g/mol
LogP2.58
Rot. Bonds5

About ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate

ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate (PubChem CID 46097541) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 g/mol. Its IUPAC name is ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
PubChem CID46097541
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC Nameethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(c2c(-c3ccc(OC)cc3)cnc3ncnn23)CC1
InChIInChI=1S/C20H23N5O3/c1-3-28-19(26)15-8-10-24(11-9-15)18-17(12-21-20-22-13-23-25(18)20)14-4-6-16(27-2)7-5-14/h4-7,12-13,15H,3,8-11H2,1-2H3
InChIKeyBDRJJEVUSBXFJV-UHFFFAOYSA-N
XLogP2.58
TPSA81.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 5-[4-[6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]-5-oxopentanoate
CID 46109313
ethyl 1-[3-(4-methoxyphenyl)-[1,2]thiazolo[4,5-d]pyrimidin-7-yl]piperidine-4-carboxylate
CID 1462076
ethyl 1-(5-ethyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidine-4-carboxylate
CID 46094525
6-(4-methoxyphenyl)-7-[4-(1-phenylethyl)piperazin-1-yl]-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46097569
ethyl 1-[5-[[3-(4-methoxyphenyl)-4-methylphenyl]carbamoyl]-2-pyridinyl]piperidine-4-carboxylate
CID 59318099
ethyl 1-[6-(4-methylphenoxy)pyrimidin-4-yl]piperidine-4-carboxylate
CID 42806339
7-[4-(2,5-dimethylphenyl)sulfonyl-1,4-diazepan-1-yl]-6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidine
CID 46098701
ethyl 1-[5-(4-methylphenyl)thieno[2,3-d]pyrimidin-4-yl]piperidine-4-carboxylate
CID 9280165
ethyl 1-(6-methoxyquinolin-2-yl)piperidine-4-carboxylate
CID 141431671
4-[[4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]-1,4-diazepan-1-yl]sulfonyl]-3,5-dimethyl-1,2-oxazole
CID 46098723
2-[4-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperazin-1-yl]sulfonylbenzonitrile
CID 24720159
ethyl 1-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyridazin-3-yl]piperidine-4-carboxylate
CID 53054466

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate (CID 46097541) is ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate is CCOC(=O)C1CCN(c2c(-c3ccc(OC)cc3)cnc3ncnn23)CC1.
What is the InChIKey of ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
The InChIKey is BDRJJEVUSBXFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-28-19(26)15-8-10-24(11-9-15)18-17(12-21-20-22-13-23-25(18)20)14-4-6-16(27-2)7-5-14/h4-7,12-13,15H,3,8-11H2,1-2H3.
What are the key properties of ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate?
ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate has a molecular weight of 381.44 g/mol, XLogP of 2.58, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[6-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl]piperidine-4-carboxylate is sourced from PubChem (CID 46097541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).