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

C25H20N6 — CID 58514954

IUPAC6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCCC1=NCc2cc(-c3ccc4nnn(Cc5ccc6ncccc6c5)c4n3)ccc21
InChIInChI=1S/C25H20N6/c1-2-21-20-7-6-18(13-19(20)14-27-21)23-9-10-24-25(28-23)31(30-29-24)15-16-5-8-22-17(12-16)4-3-11-26-22/h3-13H,2,14-15H2,1H3
InChIKeyQFJYCRIXKYKLPR-UHFFFAOYSA-N
MW404.48 g/mol
LogP4.80
Rot. Bonds4

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

6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 58514954) has the molecular formula C25H20N6 and a molecular weight of 404.48 g/mol. Its IUPAC name is 6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID58514954
Molecular FormulaC25H20N6
Molecular Weight404.48 g/mol
Exact Mass404.17
IUPAC Name6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCCC1=NCc2cc(-c3ccc4nnn(Cc5ccc6ncccc6c5)c4n3)ccc21
InChIInChI=1S/C25H20N6/c1-2-21-20-7-6-18(13-19(20)14-27-21)23-9-10-24-25(28-23)31(30-29-24)15-16-5-8-22-17(12-16)4-3-11-26-22/h3-13H,2,14-15H2,1H3
InChIKeyQFJYCRIXKYKLPR-UHFFFAOYSA-N
XLogP4.80
TPSA68.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.48
LogP ≤ 54.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

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Related Compounds

6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514805
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514686
N-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 54670238
6-[[5-[3-(methylsulfonylmethyl)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 149255111
6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670881
6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514910
2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoic acid
CID 66994823
2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoate
CID 131740796
6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline
CID 54760085
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938
6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514864

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 58514954) is 6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is CCC1=NCc2cc(-c3ccc4nnn(Cc5ccc6ncccc6c5)c4n3)ccc21.
What is the InChIKey of 6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is QFJYCRIXKYKLPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20N6/c1-2-21-20-7-6-18(13-19(20)14-27-21)23-9-10-24-25(28-23)31(30-29-24)15-16-5-8-22-17(12-16)4-3-11-26-22/h3-13H,2,14-15H2,1H3.
What are the key properties of 6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 404.48 g/mol, XLogP of 4.80, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 58514954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).