ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate

C18H20N6O4 — CID 69455070

IUPACethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cn3nc(-c4ccco4)nc3c(N)n2)C1
InChIInChI=1S/C18H20N6O4/c1-2-27-18(26)11-5-3-7-23(9-11)17(25)12-10-24-16(14(19)20-12)21-15(22-24)13-6-4-8-28-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H2,19,20)
InChIKeyIQBXMAVWCVVLOT-UHFFFAOYSA-N
MW384.40 g/mol
LogP1.38
Rot. Bonds4

About ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate

ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate (PubChem CID 69455070) has the molecular formula C18H20N6O4 and a molecular weight of 384.40 g/mol. Its IUPAC name is ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate
PubChem CID69455070
Molecular FormulaC18H20N6O4
Molecular Weight384.40 g/mol
Exact Mass384.15
IUPAC Nameethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2cn3nc(-c4ccco4)nc3c(N)n2)C1
InChIInChI=1S/C18H20N6O4/c1-2-27-18(26)11-5-3-7-23(9-11)17(25)12-10-24-16(14(19)20-12)21-15(22-24)13-6-4-8-28-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H2,19,20)
InChIKeyIQBXMAVWCVVLOT-UHFFFAOYSA-N
XLogP1.38
TPSA128.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.40
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate with MolForge

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Related Compounds

ethyl 1-(6-methylpyridine-2-carbonyl)piperidine-3-carboxylate
CID 43423232
ethyl 1-(1-methylimidazole-4-carbonyl)piperidine-3-carboxylate
CID 103803360
ethyl 1-(2-methylpyrazole-3-carbonyl)piperidine-3-carboxylate
CID 43664914
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl 1-[2-(furan-2-yl)acetyl]piperidine-3-carboxylate
CID 110690641
ethyl (3R)-1-(2-chlorofuran-3-carbonyl)piperidine-3-carboxylate
CID 106688676
ethyl 1-(2-methylfuran-3-carbonyl)piperidine-3-carboxylate
CID 43406992
ethyl 1-[3-(furan-2-yl)-1-(4-nitrophenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 3371718
ethyl 1-(4-phenyl-1,3-oxazole-5-carbonyl)piperidine-3-carboxylate
CID 110689377
ethyl (3R)-1-[2-[[2-(furan-2-yl)-7-oxo-6H-pyrazolo[1,5-a][1,3,5]triazin-4-yl]sulfanyl]acetyl]piperidine-3-carboxylate
CID 92724243
ethyl 1-[1-(furan-2-carbonyl)piperidine-4-carbonyl]piperidine-3-carboxylate
CID 17081710
ethyl (3S)-1-(naphthalene-2-carbonyl)piperidine-3-carboxylate
CID 26710230

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate (CID 69455070) is ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2cn3nc(-c4ccco4)nc3c(N)n2)C1.
What is the InChIKey of ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate?
The InChIKey is IQBXMAVWCVVLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N6O4/c1-2-27-18(26)11-5-3-7-23(9-11)17(25)12-10-24-16(14(19)20-12)21-15(22-24)13-6-4-8-28-13/h4,6,8,10-11H,2-3,5,7,9H2,1H3,(H2,19,20).
What are the key properties of ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate?
ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate has a molecular weight of 384.40 g/mol, XLogP of 1.38, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[8-amino-2-(furan-2-yl)-[1,2,4]triazolo[1,5-a]pyrazine-6-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 69455070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).