6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

C20H15N5S — CID 58514864

IUPAC6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCc1csc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C20H15N5S/c1-13-9-19(26-12-13)17-6-7-18-20(22-17)25(24-23-18)11-14-4-5-16-15(10-14)3-2-8-21-16/h2-10,12H,11H2,1H3
InChIKeyPYDGAVYKYVRRBU-UHFFFAOYSA-N
MW357.44 g/mol
LogP4.46
Rot. Bonds3

About 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline

6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (PubChem CID 58514864) has the molecular formula C20H15N5S and a molecular weight of 357.44 g/mol. Its IUPAC name is 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
PubChem CID58514864
Molecular FormulaC20H15N5S
Molecular Weight357.44 g/mol
Exact Mass357.10
IUPAC Name6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
SMILESCc1csc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1
InChIInChI=1S/C20H15N5S/c1-13-9-19(26-12-13)17-6-7-18-20(22-17)25(24-23-18)11-14-4-5-16-15(10-14)3-2-8-21-16/h2-10,12H,11H2,1H3
InChIKeyPYDGAVYKYVRRBU-UHFFFAOYSA-N
XLogP4.46
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline with MolForge

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Related Compounds

6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514910
6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline
CID 54760085
6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514686
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
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-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514805
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridine-5-carboxamide
CID 151275107
2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoic acid
CID 66994823
6-[[5-(1-ethyl-3H-isoindol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514954
1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-ol
CID 53262064

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline (CID 58514864) is 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is Cc1csc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)c1.
What is the InChIKey of 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
The InChIKey is PYDGAVYKYVRRBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5S/c1-13-9-19(26-12-13)17-6-7-18-20(22-17)25(24-23-18)11-14-4-5-16-15(10-14)3-2-8-21-16/h2-10,12H,11H2,1H3.
What are the key properties of 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline?
6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline has a molecular weight of 357.44 g/mol, XLogP of 4.46, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline is sourced from PubChem (CID 58514864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).