5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

C28H30N4O3 — CID 59589846

IUPAC5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ccc3c(c2)OCCO3)n2nc(Cc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C28H30N4O3/c1-20-16-24(22-6-9-25-26(19-22)35-15-14-34-25)32-28(17-20)29-27(30-32)18-21-4-7-23(8-5-21)33-13-12-31-10-2-3-11-31/h4-9,16-17,19H,2-3,10-15,18H2,1H3
InChIKeyZJVHRRALVHLJBZ-UHFFFAOYSA-N
MW470.57 g/mol
LogP4.54
Rot. Bonds7

About 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine

5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 59589846) has the molecular formula C28H30N4O3 and a molecular weight of 470.57 g/mol. Its IUPAC name is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID59589846
Molecular FormulaC28H30N4O3
Molecular Weight470.57 g/mol
Exact Mass470.23
IUPAC Name5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine
SMILESCc1cc(-c2ccc3c(c2)OCCO3)n2nc(Cc3ccc(OCCN4CCCC4)cc3)nc2c1
InChIInChI=1S/C28H30N4O3/c1-20-16-24(22-6-9-25-26(19-22)35-15-14-34-25)32-28(17-20)29-27(30-32)18-21-4-7-23(8-5-21)33-13-12-31-10-2-3-11-31/h4-9,16-17,19H,2-3,10-15,18H2,1H3
InChIKeyZJVHRRALVHLJBZ-UHFFFAOYSA-N
XLogP4.54
TPSA61.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.57
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine (CID 59589846) is 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is Cc1cc(-c2ccc3c(c2)OCCO3)n2nc(Cc3ccc(OCCN4CCCC4)cc3)nc2c1.
What is the InChIKey of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is ZJVHRRALVHLJBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N4O3/c1-20-16-24(22-6-9-25-26(19-22)35-15-14-34-25)32-28(17-20)29-27(30-32)18-21-4-7-23(8-5-21)33-13-12-31-10-2-3-11-31/h4-9,16-17,19H,2-3,10-15,18H2,1H3.
What are the key properties of 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine?
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 470.57 g/mol, XLogP of 4.54, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1,4-benzodioxin-6-yl)-7-methyl-2-[[4-(2-pyrrolidin-1-ylethoxy)phenyl]methyl]-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 59589846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).