6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine

C17H14N4S — CID 155389064

IUPAC6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESCc1csc(-c2cnc3cnn(Cc4cccnc4)c3c2)c1
InChIInChI=1S/C17H14N4S/c1-12-5-17(22-11-12)14-6-16-15(19-8-14)9-20-21(16)10-13-3-2-4-18-7-13/h2-9,11H,10H2,1H3
InChIKeyGFSVXBIJMBRGAX-UHFFFAOYSA-N
MW306.39 g/mol
LogP3.91
Rot. Bonds3

About 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine

6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine (PubChem CID 155389064) has the molecular formula C17H14N4S and a molecular weight of 306.39 g/mol. Its IUPAC name is 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine.

Molecular Properties

Compound Name6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
PubChem CID155389064
Molecular FormulaC17H14N4S
Molecular Weight306.39 g/mol
Exact Mass306.09
IUPAC Name6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine
SMILESCc1csc(-c2cnc3cnn(Cc4cccnc4)c3c2)c1
InChIInChI=1S/C17H14N4S/c1-12-5-17(22-11-12)14-6-16-15(19-8-14)9-20-21(16)10-13-3-2-4-18-7-13/h2-9,11H,10H2,1H3
InChIKeyGFSVXBIJMBRGAX-UHFFFAOYSA-N
XLogP3.91
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

dimethyl(2-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}ethyl)amine
CID 5329362
1-[2-(piperidin-1-yl)ethyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329363
1-[3-(piperidin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329365
1-[3-(4-methylpiperazin-1-yl)propyl]-3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indole
CID 5329366
dimethyl(3-{3-[5-(thiophen-3-yl)pyridin-3-yl]-1H-indol-1-yl}propyl)amine
CID 5329367
4-(3-(thiophen-2-yl)-1H-pyrazol-4-yl)quinoline
CID 11054978
Alk-5-IN-1
CID 24880914
US10377753, Example 130
CID 124175977
N,N-dimethyl-2-[6-(4-methylthiophen-2-yl)pyrrolo[3,2-b]pyridin-1-yl]acetamide
CID 124175991
11-Methyl-6-thiophen-2-ylindolizino[3,2-c]quinoline
CID 126483472
Dihydropyrrolopyrazole, 11
CID 9947683
N-{[3-(2,5-dimethyl-3-thienyl)-1-(2-fluorophenyl)-1H-pyrazol-4-yl]methyl}-2-pyrazin-2-ylethanamine
CID 16190616

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The IUPAC name of 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine (CID 155389064) is 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine.
What is the SMILES notation for 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The canonical SMILES for 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine is Cc1csc(-c2cnc3cnn(Cc4cccnc4)c3c2)c1.
What is the InChIKey of 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
The InChIKey is GFSVXBIJMBRGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4S/c1-12-5-17(22-11-12)14-6-16-15(19-8-14)9-20-21(16)10-13-3-2-4-18-7-13/h2-9,11H,10H2,1H3.
What are the key properties of 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine?
6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine has a molecular weight of 306.39 g/mol, XLogP of 3.91, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylthiophen-2-yl)-1-(pyridin-3-ylmethyl)pyrazolo[4,5-b]pyridine is sourced from PubChem (CID 155389064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).