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

C19H26ClN7O — CID 165414929

IUPAC6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(OC(C)C)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C19H26ClN7O/c1-12(2)28-15-11-14(20)13(3)27-18(15)21-16(23-27)7-8-17-22-19(24-25(17)4)26-9-5-6-10-26/h11-12H,5-10H2,1-4H3
InChIKeyJHFYITINWPCIDS-UHFFFAOYSA-N
MW403.92 g/mol
LogP2.99
Rot. Bonds6

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

6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 165414929) has the molecular formula C19H26ClN7O and a molecular weight of 403.92 g/mol. Its IUPAC name is 6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID165414929
Molecular FormulaC19H26ClN7O
Molecular Weight403.92 g/mol
Exact Mass403.19
IUPAC Name6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1c(Cl)cc(OC(C)C)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C19H26ClN7O/c1-12(2)28-15-11-14(20)13(3)27-18(15)21-16(23-27)7-8-17-22-19(24-25(17)4)26-9-5-6-10-26/h11-12H,5-10H2,1-4H3
InChIKeyJHFYITINWPCIDS-UHFFFAOYSA-N
XLogP2.99
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.92
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine (CID 165414929) is 6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine is Cc1c(Cl)cc(OC(C)C)c2nc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is JHFYITINWPCIDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26ClN7O/c1-12(2)28-15-11-14(20)13(3)27-18(15)21-16(23-27)7-8-17-22-19(24-25(17)4)26-9-5-6-10-26/h11-12H,5-10H2,1-4H3.
What are the key properties of 6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine?
6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 403.92 g/mol, XLogP of 2.99, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-methyl-2-[2-(2-methyl-5-pyrrolidin-1-yl-1,2,4-triazol-3-yl)ethyl]-8-propan-2-yloxy-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 165414929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).