ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate

C19H21N5O3 — CID 137291244

IUPACethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3nnc(-c4cc[nH]c4)n3c2)CC1
InChIInChI=1S/C19H21N5O3/c1-2-27-19(26)13-6-9-23(10-7-13)18(25)15-3-4-16-21-22-17(24(16)12-15)14-5-8-20-11-14/h3-5,8,11-13,20H,2,6-7,9-10H2,1H3
InChIKeyUNYCYEIJOMPTAW-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.14
Rot. Bonds4

About ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate

ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate (PubChem CID 137291244) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
PubChem CID137291244
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Nameethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(C(=O)c2ccc3nnc(-c4cc[nH]c4)n3c2)CC1
InChIInChI=1S/C19H21N5O3/c1-2-27-19(26)13-6-9-23(10-7-13)18(25)15-3-4-16-21-22-17(24(16)12-15)14-5-8-20-11-14/h3-5,8,11-13,20H,2,6-7,9-10H2,1H3
InChIKeyUNYCYEIJOMPTAW-UHFFFAOYSA-N
XLogP2.14
TPSA92.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]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 1-[3-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate
CID 134799912
ethyl 1-(3-amino-4-oxopyrido[1,2-a]pyrimidine-7-carbonyl)piperidine-4-carboxylate
CID 44783014
N-(2-methoxyethyl)-3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide
CID 137291262
1-(3-methyl-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl)piperidine-4-carboxylic acid
CID 84614360
ethyl 1-(1H-indole-6-carbonyl)piperidine-4-carboxylate
CID 39715931
ethyl 1-[4-(chloromethyl)benzoyl]piperidine-4-carboxylate
CID 43333531
ethyl 1-(2-methylpyrimidine-5-carbonyl)piperidine-4-carboxylate
CID 155405233
ethyl 1-[3-fluoro-4-(trifluoromethyl)benzoyl]piperidine-4-carboxylate
CID 91730821
ethyl 1-(4-chloropyridine-2-carbonyl)piperidine-4-carboxylate
CID 43216980
ethyl 1-[4-(dipropylsulfamoyl)benzoyl]piperidine-4-carboxylate
CID 44533421
ethyl 1-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridine-3-carbonyl]piperidine-4-carboxylate
CID 84556691
ethyl 1-(pyridine-3-carbonyl)piperidine-4-carboxylate
CID 2303084

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate (CID 137291244) is ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(C(=O)c2ccc3nnc(-c4cc[nH]c4)n3c2)CC1.
What is the InChIKey of ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate?
The InChIKey is UNYCYEIJOMPTAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-2-27-19(26)13-6-9-23(10-7-13)18(25)15-3-4-16-21-22-17(24(16)12-15)14-5-8-20-11-14/h3-5,8,11-13,20H,2,6-7,9-10H2,1H3.
What are the key properties of ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate?
ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[3-(1H-pyrrol-3-yl)-[1,2,4]triazolo[4,3-a]pyridine-6-carbonyl]piperidine-4-carboxylate is sourced from PubChem (CID 137291244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).