6-chloro-8-(difluoromethoxy)-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

C17H20ClF2N7O — CID 90027120

IUPAC6-chloro-8-(difluoromethoxy)-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
SMILESCc1c(Cl)cc(OC(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C17H20ClF2N7O/c1-10-11(18)9-12(28-16(19)20)15-21-13(23-27(10)15)5-6-14-22-17(24-25(14)2)26-7-3-4-8-26/h9,16H,3-8H2,1-2H3
InChIKeyMNFUXWSTNGALPY-UHFFFAOYSA-N
MW411.84 g/mol
LogP2.81
Rot. Bonds6

About 6-chloro-8-(difluoromethoxy)-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-(difluoromethoxy)-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 90027120) has the molecular formula C17H20ClF2N7O and a molecular weight of 411.84 g/mol. Its IUPAC name is 6-chloro-8-(difluoromethoxy)-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-(difluoromethoxy)-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 CID90027120
Molecular FormulaC17H20ClF2N7O
Molecular Weight411.84 g/mol
Exact Mass411.14
IUPAC Name6-chloro-8-(difluoromethoxy)-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
SMILESCc1c(Cl)cc(OC(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C17H20ClF2N7O/c1-10-11(18)9-12(28-16(19)20)15-21-13(23-27(10)15)5-6-14-22-17(24-25(14)2)26-7-3-4-8-26/h9,16H,3-8H2,1-2H3
InChIKeyMNFUXWSTNGALPY-UHFFFAOYSA-N
XLogP2.81
TPSA73.37 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.84
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(difluoromethoxy)-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-(difluoromethoxy)-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 90027120) is 6-chloro-8-(difluoromethoxy)-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-(difluoromethoxy)-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-(difluoromethoxy)-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 Cc1c(Cl)cc(OC(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 6-chloro-8-(difluoromethoxy)-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 MNFUXWSTNGALPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF2N7O/c1-10-11(18)9-12(28-16(19)20)15-21-13(23-27(10)15)5-6-14-22-17(24-25(14)2)26-7-3-4-8-26/h9,16H,3-8H2,1-2H3.
What are the key properties of 6-chloro-8-(difluoromethoxy)-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-(difluoromethoxy)-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 411.84 g/mol, XLogP of 2.81, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(difluoromethoxy)-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 90027120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).