6-chloro-8-methoxy-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

C17H22ClN7O — CID 72705846

IUPAC6-chloro-8-methoxy-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
SMILESCOc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C17H22ClN7O/c1-11-12(18)10-13(26-3)16-19-14(21-25(11)16)6-7-15-20-17(22-23(15)2)24-8-4-5-9-24/h10H,4-9H2,1-3H3
InChIKeyYPPOKLHGCGQTIE-UHFFFAOYSA-N
MW375.86 g/mol
LogP2.21
Rot. Bonds5

About 6-chloro-8-methoxy-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-methoxy-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 72705846) has the molecular formula C17H22ClN7O and a molecular weight of 375.86 g/mol. Its IUPAC name is 6-chloro-8-methoxy-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-methoxy-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 CID72705846
Molecular FormulaC17H22ClN7O
Molecular Weight375.86 g/mol
Exact Mass375.16
IUPAC Name6-chloro-8-methoxy-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
SMILESCOc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12
InChIInChI=1S/C17H22ClN7O/c1-11-12(18)10-13(26-3)16-19-14(21-25(11)16)6-7-15-20-17(22-23(15)2)24-8-4-5-9-24/h10H,4-9H2,1-3H3
InChIKeyYPPOKLHGCGQTIE-UHFFFAOYSA-N
XLogP2.21
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.86
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-methoxy-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-methoxy-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 72705846) is 6-chloro-8-methoxy-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-methoxy-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-methoxy-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 COc1cc(Cl)c(C)n2nc(CCc3nc(N4CCCC4)nn3C)nc12.
What is the InChIKey of 6-chloro-8-methoxy-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 YPPOKLHGCGQTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClN7O/c1-11-12(18)10-13(26-3)16-19-14(21-25(11)16)6-7-15-20-17(22-23(15)2)24-8-4-5-9-24/h10H,4-9H2,1-3H3.
What are the key properties of 6-chloro-8-methoxy-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-methoxy-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 375.86 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-methoxy-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 72705846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).