2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine

C18H27N5O — CID 95043058

IUPAC2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOCCN1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1
InChIInChI=1S/C18H27N5O/c1-24-13-12-21-10-6-15(7-11-21)18-19-17-5-4-16(14-23(17)20-18)22-8-2-3-9-22/h4-5,14-15H,2-3,6-13H2,1H3
InChIKeyFRYLUYIHKUFMGX-UHFFFAOYSA-N
MW329.45 g/mol
LogP2.16
Rot. Bonds5

About 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine

2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 95043058) has the molecular formula C18H27N5O and a molecular weight of 329.45 g/mol. Its IUPAC name is 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID95043058
Molecular FormulaC18H27N5O
Molecular Weight329.45 g/mol
Exact Mass329.22
IUPAC Name2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCOCCN1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1
InChIInChI=1S/C18H27N5O/c1-24-13-12-21-10-6-15(7-11-21)18-19-17-5-4-16(14-23(17)20-18)22-8-2-3-9-22/h4-5,14-15H,2-3,6-13H2,1H3
InChIKeyFRYLUYIHKUFMGX-UHFFFAOYSA-N
XLogP2.16
TPSA45.90 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.45
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine (CID 95043058) is 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine is COCCN1CCC(c2nc3ccc(N4CCCC4)cn3n2)CC1.
What is the InChIKey of 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is FRYLUYIHKUFMGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5O/c1-24-13-12-21-10-6-15(7-11-21)18-19-17-5-4-16(14-23(17)20-18)22-8-2-3-9-22/h4-5,14-15H,2-3,6-13H2,1H3.
What are the key properties of 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine?
2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 329.45 g/mol, XLogP of 2.16, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-methoxyethyl)piperidin-4-yl]-6-pyrrolidin-1-yl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 95043058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).