6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

C18H24ClN7O — CID 165414952

IUPAC6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCOc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C18H24ClN7O/c1-4-27-14-11-13(19)12(2)26-17(14)20-15(22-26)7-8-16-21-18(23-24(16)3)25-9-5-6-10-25/h11H,4-10H2,1-3H3
InChIKeyCNXAQVSLKIZXBA-UHFFFAOYSA-N
MW389.89 g/mol
LogP2.60
Rot. Bonds6

About 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine

6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165414952) has the molecular formula C18H24ClN7O and a molecular weight of 389.89 g/mol. Its IUPAC name is 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165414952
Molecular FormulaC18H24ClN7O
Molecular Weight389.89 g/mol
Exact Mass389.17
IUPAC Name6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCCOc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C18H24ClN7O/c1-4-27-14-11-13(19)12(2)26-17(14)20-15(22-26)7-8-16-21-18(23-24(16)3)25-9-5-6-10-25/h11H,4-10H2,1-3H3
InChIKeyCNXAQVSLKIZXBA-UHFFFAOYSA-N
XLogP2.60
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.89
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 165414952) is 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is CCOc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12.
What is the InChIKey of 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is CNXAQVSLKIZXBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24ClN7O/c1-4-27-14-11-13(19)12(2)26-17(14)20-15(22-26)7-8-16-21-18(23-24(16)3)25-9-5-6-10-25/h11H,4-10H2,1-3H3.
What are the key properties of 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 389.89 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-ethoxy-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165414952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).