6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine

C17H18F2N4O2 — CID 153370757

IUPAC6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCc1nnc2ccc(-c3cnc(OCC(C)(F)F)c(C)c3)cn12
InChIInChI=1S/C17H18F2N4O2/c1-11-6-13(7-20-16(11)25-10-17(2,18)19)12-4-5-14-21-22-15(9-24-3)23(14)8-12/h4-8H,9-10H2,1-3H3
InChIKeySDUPBACTHZQRMM-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.28
Rot. Bonds6

About 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine

6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 153370757) has the molecular formula C17H18F2N4O2 and a molecular weight of 348.35 g/mol. Its IUPAC name is 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
PubChem CID153370757
Molecular FormulaC17H18F2N4O2
Molecular Weight348.35 g/mol
Exact Mass348.14
IUPAC Name6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine
SMILESCOCc1nnc2ccc(-c3cnc(OCC(C)(F)F)c(C)c3)cn12
InChIInChI=1S/C17H18F2N4O2/c1-11-6-13(7-20-16(11)25-10-17(2,18)19)12-4-5-14-21-22-15(9-24-3)23(14)8-12/h4-8H,9-10H2,1-3H3
InChIKeySDUPBACTHZQRMM-UHFFFAOYSA-N
XLogP3.28
TPSA61.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine (CID 153370757) is 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine is COCc1nnc2ccc(-c3cnc(OCC(C)(F)F)c(C)c3)cn12.
What is the InChIKey of 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is SDUPBACTHZQRMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O2/c1-11-6-13(7-20-16(11)25-10-17(2,18)19)12-4-5-14-21-22-15(9-24-3)23(14)8-12/h4-8H,9-10H2,1-3H3.
What are the key properties of 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine?
6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 348.35 g/mol, XLogP of 3.28, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(2,2-difluoropropoxy)-5-methyl-3-pyridinyl]-3-(methoxymethyl)-[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 153370757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).