3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine

C23H18N2S — CID 19027123

IUPAC3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine
SMILESc1cncc(CC2(Cc3ccncc3)c3ccccc3-c3sccc32)c1
InChIInChI=1S/C23H18N2S/c1-2-6-20-19(5-1)22-21(9-13-26-22)23(20,14-17-7-11-24-12-8-17)15-18-4-3-10-25-16-18/h1-13,16H,14-15H2
InChIKeyBXKKAFSXGSZHHI-UHFFFAOYSA-N
MW354.48 g/mol
LogP5.29
Rot. Bonds4

About 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine

3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine (PubChem CID 19027123) has the molecular formula C23H18N2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine.

Molecular Properties

Compound Name3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine
PubChem CID19027123
Molecular FormulaC23H18N2S
Molecular Weight354.48 g/mol
Exact Mass354.12
IUPAC Name3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine
SMILESc1cncc(CC2(Cc3ccncc3)c3ccccc3-c3sccc32)c1
InChIInChI=1S/C23H18N2S/c1-2-6-20-19(5-1)22-21(9-13-26-22)23(20,14-17-7-11-24-12-8-17)15-18-4-3-10-25-16-18/h1-13,16H,14-15H2
InChIKeyBXKKAFSXGSZHHI-UHFFFAOYSA-N
XLogP5.29
TPSA25.78 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.48
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine 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

2-(pyridin-3-ylmethyl)-3,4-dihydro-1H-[1]benzothiolo[2,3-c]pyridine
CID 137648186
3-(4-Pyridin-3-ylthiophen-2-yl)pyridine
CID 46316704
4-pyridin-2-yl-2-thiophen-2-yl-5H-indeno[1,2-b]pyridine
CID 101884642
2-pyridin-2-yl-4-thiophen-2-yl-5H-indeno[1,2-b]pyridine
CID 102155638
2,3,5,6-Tetrafluoro-4-[5-(4-fluorophenyl)-4-pyridin-4-ylthiophen-2-yl]pyridine
CID 118911846
2-Pyridin-4-yl-4,6-dithiophen-2-ylpyridine
CID 16750521
2-Pyridin-4-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423805
4-Pyridin-3-yl-2-pyridin-4-yl-6-thiophen-2-ylpyridine
CID 44423808
2,4-Dipyridin-4-yl-6-thiophen-3-ylpyridine
CID 44423809
2-Pyridin-4-yl-4-thiophen-2-yl-6-thiophen-3-ylpyridine
CID 44423832
2-Pyridin-4-yl-4,6-di(thiophen-3-yl)pyridine
CID 44423833
2-Pyridin-3-yl-6-thiophen-2-yl-4-thiophen-3-ylpyridine
CID 44423835

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine?
The IUPAC name of 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine (CID 19027123) is 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine.
What is the SMILES notation for 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine?
The canonical SMILES for 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine is c1cncc(CC2(Cc3ccncc3)c3ccccc3-c3sccc32)c1.
What is the InChIKey of 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine?
The InChIKey is BXKKAFSXGSZHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2S/c1-2-6-20-19(5-1)22-21(9-13-26-22)23(20,14-17-7-11-24-12-8-17)15-18-4-3-10-25-16-18/h1-13,16H,14-15H2.
What are the key properties of 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine?
3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine has a molecular weight of 354.48 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(pyridin-4-ylmethyl)indeno[1,2-b]thiophen-4-yl]methyl]pyridine is sourced from PubChem (CID 19027123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).