2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine

C27H26F2N4O3 — CID 59590004

IUPAC2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1(F)CCN(CCOc2ccc(Cc3nc4cccc(-c5ccc6c(c5)OCCO6)n4n3)cc2)C1
InChIInChI=1S/C27H26F2N4O3/c28-27(29)10-11-32(18-27)12-13-34-21-7-4-19(5-8-21)16-25-30-26-3-1-2-22(33(26)31-25)20-6-9-23-24(17-20)36-15-14-35-23/h1-9,17H,10-16,18H2
InChIKeyMVAZLQUXKCYLCG-UHFFFAOYSA-N
MW492.53 g/mol
LogP4.48
Rot. Bonds7

About 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine

2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59590004) has the molecular formula C27H26F2N4O3 and a molecular weight of 492.53 g/mol. Its IUPAC name is 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59590004
Molecular FormulaC27H26F2N4O3
Molecular Weight492.53 g/mol
Exact Mass492.20
IUPAC Name2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine
SMILESFC1(F)CCN(CCOc2ccc(Cc3nc4cccc(-c5ccc6c(c5)OCCO6)n4n3)cc2)C1
InChIInChI=1S/C27H26F2N4O3/c28-27(29)10-11-32(18-27)12-13-34-21-7-4-19(5-8-21)16-25-30-26-3-1-2-22(33(26)31-25)20-6-9-23-24(17-20)36-15-14-35-23/h1-9,17H,10-16,18H2
InChIKeyMVAZLQUXKCYLCG-UHFFFAOYSA-N
XLogP4.48
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.53
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

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CID 135547715
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Frequently Asked Questions

What is the IUPAC name of 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine (CID 59590004) is 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine is FC1(F)CCN(CCOc2ccc(Cc3nc4cccc(-c5ccc6c(c5)OCCO6)n4n3)cc2)C1.
What is the InChIKey of 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is MVAZLQUXKCYLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26F2N4O3/c28-27(29)10-11-32(18-27)12-13-34-21-7-4-19(5-8-21)16-25-30-26-3-1-2-22(33(26)31-25)20-6-9-23-24(17-20)36-15-14-35-23/h1-9,17H,10-16,18H2.
What are the key properties of 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine?
2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 492.53 g/mol, XLogP of 4.48, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]phenyl]methyl]-5-(2,3-dihydro-1,4-benzodioxin-6-yl)-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59590004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).