ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate

C23H23N5O4 — CID 66895681

IUPACethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(c2ccccn2)CCC1Cc1noc(-c2cc3cnccc3o2)n1
InChIInChI=1S/C23H23N5O4/c1-2-30-23(29)17-14-28(21-5-3-4-8-25-21)10-7-15(17)12-20-26-22(32-27-20)19-11-16-13-24-9-6-18(16)31-19/h3-6,8-9,11,13,15,17H,2,7,10,12,14H2,1H3
InChIKeyTYUXHZZFZINGTK-UHFFFAOYSA-N
MW433.47 g/mol
LogP3.52
Rot. Bonds6

About ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate

ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate (PubChem CID 66895681) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate
PubChem CID66895681
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Nameethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate
SMILESCCOC(=O)C1CN(c2ccccn2)CCC1Cc1noc(-c2cc3cnccc3o2)n1
InChIInChI=1S/C23H23N5O4/c1-2-30-23(29)17-14-28(21-5-3-4-8-25-21)10-7-15(17)12-20-26-22(32-27-20)19-11-16-13-24-9-6-18(16)31-19/h3-6,8-9,11,13,15,17H,2,7,10,12,14H2,1H3
InChIKeyTYUXHZZFZINGTK-UHFFFAOYSA-N
XLogP3.52
TPSA107.38 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate?
The IUPAC name of ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate (CID 66895681) is ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate.
What is the SMILES notation for ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate?
The canonical SMILES for ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate is CCOC(=O)C1CN(c2ccccn2)CCC1Cc1noc(-c2cc3cnccc3o2)n1.
What is the InChIKey of ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate?
The InChIKey is TYUXHZZFZINGTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-2-30-23(29)17-14-28(21-5-3-4-8-25-21)10-7-15(17)12-20-26-22(32-27-20)19-11-16-13-24-9-6-18(16)31-19/h3-6,8-9,11,13,15,17H,2,7,10,12,14H2,1H3.
What are the key properties of ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate?
ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate has a molecular weight of 433.47 g/mol, XLogP of 3.52, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[(5-furo[3,2-c]pyridin-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylpiperidine-3-carboxylate is sourced from PubChem (CID 66895681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).