ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate

C27H30ClN5O4 — CID 58222435

IUPACethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c[nH]c3cc(-c4noc(-c5cnc(OC(C)C)c(Cl)c5)n4)ccc23)CC1
InChIInChI=1S/C27H30ClN5O4/c1-4-35-27(34)17-7-9-33(10-8-17)15-20-14-29-23-12-18(5-6-21(20)23)24-31-25(37-32-24)19-11-22(28)26(30-13-19)36-16(2)3/h5-6,11-14,16-17,29H,4,7-10,15H2,1-3H3
InChIKeyMVWPBSMCLQWSAI-UHFFFAOYSA-N
MW524.02 g/mol
LogP5.50
Rot. Bonds8

About ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate

ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate (PubChem CID 58222435) has the molecular formula C27H30ClN5O4 and a molecular weight of 524.02 g/mol. Its IUPAC name is ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate
PubChem CID58222435
Molecular FormulaC27H30ClN5O4
Molecular Weight524.02 g/mol
Exact Mass523.20
IUPAC Nameethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate
SMILESCCOC(=O)C1CCN(Cc2c[nH]c3cc(-c4noc(-c5cnc(OC(C)C)c(Cl)c5)n4)ccc23)CC1
InChIInChI=1S/C27H30ClN5O4/c1-4-35-27(34)17-7-9-33(10-8-17)15-20-14-29-23-12-18(5-6-21(20)23)24-31-25(37-32-24)19-11-22(28)26(30-13-19)36-16(2)3/h5-6,11-14,16-17,29H,4,7-10,15H2,1-3H3
InChIKeyMVWPBSMCLQWSAI-UHFFFAOYSA-N
XLogP5.50
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.02
LogP ≤ 55.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]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

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate?
The IUPAC name of ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate (CID 58222435) is ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate.
What is the SMILES notation for ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate?
The canonical SMILES for ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate is CCOC(=O)C1CCN(Cc2c[nH]c3cc(-c4noc(-c5cnc(OC(C)C)c(Cl)c5)n4)ccc23)CC1.
What is the InChIKey of ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate?
The InChIKey is MVWPBSMCLQWSAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30ClN5O4/c1-4-35-27(34)17-7-9-33(10-8-17)15-20-14-29-23-12-18(5-6-21(20)23)24-31-25(37-32-24)19-11-22(28)26(30-13-19)36-16(2)3/h5-6,11-14,16-17,29H,4,7-10,15H2,1-3H3.
What are the key properties of ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate?
ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate has a molecular weight of 524.02 g/mol, XLogP of 5.50, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[6-[5-(5-chloro-6-propan-2-yloxy-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1H-indol-3-yl]methyl]piperidine-4-carboxylate is sourced from PubChem (CID 58222435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).