6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

C22H15N5O2 — CID 58514805

IUPAC6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ccc(-c5ccc6c(c5)OCO6)nc43)cc2c1
InChIInChI=1S/C22H15N5O2/c1-2-15-10-14(3-5-17(15)23-9-1)12-27-22-19(25-26-27)7-6-18(24-22)16-4-8-20-21(11-16)29-13-28-20/h1-11H,12-13H2
InChIKeyYAHRBSLCKASTSJ-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.82
Rot. Bonds3

About 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 58514805) has the molecular formula C22H15N5O2 and a molecular weight of 381.40 g/mol. Its IUPAC name is 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID58514805
Molecular FormulaC22H15N5O2
Molecular Weight381.40 g/mol
Exact Mass381.12
IUPAC Name6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ccc(-c5ccc6c(c5)OCO6)nc43)cc2c1
InChIInChI=1S/C22H15N5O2/c1-2-15-10-14(3-5-17(15)23-9-1)12-27-22-19(25-26-27)7-6-18(24-22)16-4-8-20-21(11-16)29-13-28-20/h1-11H,12-13H2
InChIKeyYAHRBSLCKASTSJ-UHFFFAOYSA-N
XLogP3.82
TPSA74.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 58514805) is 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is c1cnc2ccc(Cn3nnc4ccc(-c5ccc6c(c5)OCO6)nc43)cc2c1.
What is the InChIKey of 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is YAHRBSLCKASTSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O2/c1-2-15-10-14(3-5-17(15)23-9-1)12-27-22-19(25-26-27)7-6-18(24-22)16-4-8-20-21(11-16)29-13-28-20/h1-11H,12-13H2.
What are the key properties of 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 381.40 g/mol, XLogP of 3.82, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 58514805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).