6-chloro-8-(difluoromethyl)-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

C17H20ClF2N7 — CID 72703515

IUPAC6-chloro-8-(difluoromethyl)-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(C(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C17H20ClF2N7/c1-10-12(18)9-11(15(19)20)16-21-13(23-27(10)16)5-6-14-22-17(24-25(14)2)26-7-3-4-8-26/h9,15H,3-8H2,1-2H3
InChIKeyLAXCTJQTXXLKFB-UHFFFAOYSA-N
MW395.85 g/mol
LogP3.14
Rot. Bonds5

About 6-chloro-8-(difluoromethyl)-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-(difluoromethyl)-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 72703515) has the molecular formula C17H20ClF2N7 and a molecular weight of 395.85 g/mol. Its IUPAC name is 6-chloro-8-(difluoromethyl)-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-(difluoromethyl)-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 CID72703515
Molecular FormulaC17H20ClF2N7
Molecular Weight395.85 g/mol
Exact Mass395.14
IUPAC Name6-chloro-8-(difluoromethyl)-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(C(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12
InChIInChI=1S/C17H20ClF2N7/c1-10-12(18)9-11(15(19)20)16-21-13(23-27(10)16)5-6-14-22-17(24-25(14)2)26-7-3-4-8-26/h9,15H,3-8H2,1-2H3
InChIKeyLAXCTJQTXXLKFB-UHFFFAOYSA-N
XLogP3.14
TPSA64.14 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.85
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-8-(difluoromethyl)-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-(difluoromethyl)-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 72703515) is 6-chloro-8-(difluoromethyl)-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-(difluoromethyl)-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-(difluoromethyl)-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(C(F)F)c2nc(CCc3nc(N4CCCC4)nn3C)nn12.
What is the InChIKey of 6-chloro-8-(difluoromethyl)-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 LAXCTJQTXXLKFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClF2N7/c1-10-12(18)9-11(15(19)20)16-21-13(23-27(10)16)5-6-14-22-17(24-25(14)2)26-7-3-4-8-26/h9,15H,3-8H2,1-2H3.
What are the key properties of 6-chloro-8-(difluoromethyl)-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-(difluoromethyl)-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 395.85 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-8-(difluoromethyl)-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 72703515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).