[5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol

C20H15N5OS — CID 53262067

IUPAC[5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol
SMILESOCc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)s1
InChIInChI=1S/C20H15N5OS/c26-12-15-4-8-19(27-15)17-6-7-18-20(22-17)25(24-23-18)11-13-3-5-16-14(10-13)2-1-9-21-16/h1-10,26H,11-12H2
InChIKeyZGLNGYKFQGCGKQ-UHFFFAOYSA-N
MW373.44 g/mol
LogP3.64
Rot. Bonds4

About [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol

[5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol (PubChem CID 53262067) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol.

Molecular Properties

Compound Name[5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol
PubChem CID53262067
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name[5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol
SMILESOCc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)s1
InChIInChI=1S/C20H15N5OS/c26-12-15-4-8-19(27-15)17-6-7-18-20(22-17)25(24-23-18)11-13-3-5-16-14(10-13)2-1-9-21-16/h1-10,26H,11-12H2
InChIKeyZGLNGYKFQGCGKQ-UHFFFAOYSA-N
XLogP3.64
TPSA76.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol with MolForge

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Related Compounds

3-(6-Quinolylmethyl)-6-(2-thienyl)[1,2,4]triazolo[4,3-b][1,2,4]triazine
CID 57405873
6-[Difluoro-(6-thiophen-2-yl-[1,2,4]triazolo[4,3-b][1,2,4]triazin-3-yl)methyl]quinoline
CID 57406400
[3-[3-(2-Thienyl)imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126673064
(E)-N-phenylmethoxy-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanimine
CID 58190514
(1R)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032915
(1S)-1-(4-fluorophenyl)-1-[2-[4-[6-(5-methylthiophen-2-yl)pyrrolo[2,1-f][1,2,4]triazin-4-yl]piperazin-1-yl]pyrimidin-5-yl]ethanol
CID 118032919
[5-(1-Phenylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134142080
[5-(1-Pyridin-4-ylimidazo[1,5-a]pyridin-3-yl)thiophen-2-yl]methanol
CID 134149171
6-(6-Thiophen-2-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155544174
6-(6-Thiophen-3-ylimidazo[1,2-a]pyrazin-3-yl)quinoline
CID 155568714
[9-(Thiophen-2-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
CID 127028806
[9-(Thiophen-3-ylmethyl)pyrido[2,3-b]indol-3-yl]methanol
CID 127028807

Frequently Asked Questions

What is the IUPAC name of [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol?
The IUPAC name of [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol (CID 53262067) is [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol.
What is the SMILES notation for [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol?
The canonical SMILES for [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol is OCc1ccc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)s1.
What is the InChIKey of [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol?
The InChIKey is ZGLNGYKFQGCGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5OS/c26-12-15-4-8-19(27-15)17-6-7-18-20(22-17)25(24-23-18)11-13-3-5-16-14(10-13)2-1-9-21-16/h1-10,26H,11-12H2.
What are the key properties of [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol?
[5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol has a molecular weight of 373.44 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol is sourced from PubChem (CID 53262067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).