5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde

C20H15N5OS — CID 118214051

IUPAC5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c(n2)N(Cc2ccc4ncccc4c2)NN3)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/h1-10,12,23-24H,11H2
InChIKeySVJQRWRAKGUZNZ-UHFFFAOYSA-N
MW373.44 g/mol
LogP4.02
Rot. Bonds4

About 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde

5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde (PubChem CID 118214051) has the molecular formula C20H15N5OS and a molecular weight of 373.44 g/mol. Its IUPAC name is 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde
PubChem CID118214051
Molecular FormulaC20H15N5OS
Molecular Weight373.44 g/mol
Exact Mass373.10
IUPAC Name5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde
SMILESO=Cc1ccc(-c2ccc3c(n2)N(Cc2ccc4ncccc4c2)NN3)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/h1-10,12,23-24H,11H2
InChIKeySVJQRWRAKGUZNZ-UHFFFAOYSA-N
XLogP4.02
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 54.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde with MolForge

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

Launch Full Analysis

Related Compounds

6-[[5-(1H-pyrazol-5-yl)-1,2-dihydrotriazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 118214035
2-fluoro-N-(2-methylpropyl)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123849268
2-chloro-N-propoxy-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123460431
N-(2-methoxy-4-pyridinyl)-3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-amine
CID 167146850
2-chloro-N-(2-hydroxypropoxy)-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]benzamide
CID 123181910
trans-(1R,2R)-2-[[2-[[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]amino]-4-pyridinyl]amino]cyclopentan-1-ol
CID 139321387
5-[3-[(3-methylquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde
CID 146664123
6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514910
6-[(5-pyridin-2-ylsulfanyl-1,2-dihydrotriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 139321401
6-(5-methylthiophen-2-yl)-2-(quinolin-6-ylmethyl)pyridazin-3-one
CID 166219828
[5-[3-[(4-amino-3-buta-1,3-dienylphenyl)methyl]-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophen-2-yl]methanol
CID 163832523
N-[2-(dimethylamino)ethyl]-N-methyl-4-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyrazin-5-yl]benzamide
CID 143578589

Frequently Asked Questions

What is the IUPAC name of 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde?
The IUPAC name of 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde (CID 118214051) is 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde.
What is the SMILES notation for 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde?
The canonical SMILES for 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde is O=Cc1ccc(-c2ccc3c(n2)N(Cc2ccc4ncccc4c2)NN3)s1.
What is the InChIKey of 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde?
The InChIKey is SVJQRWRAKGUZNZ-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/h1-10,12,23-24H,11H2.
What are the key properties of 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde?
5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde has a molecular weight of 373.44 g/mol, XLogP of 4.02, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(quinolin-6-ylmethyl)-1,2-dihydrotriazolo[4,5-b]pyridin-5-yl]thiophene-2-carbaldehyde is sourced from PubChem (CID 118214051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).