1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine

C21H22N4OS — CID 162655510

IUPAC1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine
SMILESc1coc(-c2nc3c(NCCc4cccs4)nccc3n2C2CCCC2)c1
InChIInChI=1S/C21H22N4OS/c1-2-6-15(5-1)25-17-10-12-23-20(22-11-9-16-7-4-14-27-16)19(17)24-21(25)18-8-3-13-26-18/h3-4,7-8,10,12-15H,1-2,5-6,9,11H2,(H,22,23)
InChIKeyCBOOOBHWXPGERF-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.52
Rot. Bonds6

About 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine

1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine (PubChem CID 162655510) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine.

Molecular Properties

Compound Name1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine
PubChem CID162655510
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine
SMILESc1coc(-c2nc3c(NCCc4cccs4)nccc3n2C2CCCC2)c1
InChIInChI=1S/C21H22N4OS/c1-2-6-15(5-1)25-17-10-12-23-20(22-11-9-16-7-4-14-27-16)19(17)24-21(25)18-8-3-13-26-18/h3-4,7-8,10,12-15H,1-2,5-6,9,11H2,(H,22,23)
InChIKeyCBOOOBHWXPGERF-UHFFFAOYSA-N
XLogP5.52
TPSA55.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.50
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine?
The IUPAC name of 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine (CID 162655510) is 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine.
What is the SMILES notation for 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine?
The canonical SMILES for 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine is c1coc(-c2nc3c(NCCc4cccs4)nccc3n2C2CCCC2)c1.
What is the InChIKey of 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine?
The InChIKey is CBOOOBHWXPGERF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-2-6-15(5-1)25-17-10-12-23-20(22-11-9-16-7-4-14-27-16)19(17)24-21(25)18-8-3-13-26-18/h3-4,7-8,10,12-15H,1-2,5-6,9,11H2,(H,22,23).
What are the key properties of 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine?
1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine has a molecular weight of 378.50 g/mol, XLogP of 5.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-c]pyridin-4-amine is sourced from PubChem (CID 162655510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).