3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine

C21H22N4OS — CID 162654840

IUPAC3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine
SMILESc1coc(-c2nc3c(NCCc4cccs4)ccnc3n2C2CCCC2)c1
InChIInChI=1S/C21H22N4OS/c1-2-6-15(5-1)25-20(18-8-3-13-26-18)24-19-17(10-12-23-21(19)25)22-11-9-16-7-4-14-27-16/h3-4,7-8,10,12-15H,1-2,5-6,9,11H2,(H,22,23)
InChIKeyHJFMZCWKCPQKDM-UHFFFAOYSA-N
MW378.50 g/mol
LogP5.52
Rot. Bonds6

About 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine

3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine (PubChem CID 162654840) has the molecular formula C21H22N4OS and a molecular weight of 378.50 g/mol. Its IUPAC name is 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine.

Molecular Properties

Compound Name3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine
PubChem CID162654840
Molecular FormulaC21H22N4OS
Molecular Weight378.50 g/mol
Exact Mass378.15
IUPAC Name3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine
SMILESc1coc(-c2nc3c(NCCc4cccs4)ccnc3n2C2CCCC2)c1
InChIInChI=1S/C21H22N4OS/c1-2-6-15(5-1)25-20(18-8-3-13-26-18)24-19-17(10-12-23-21(19)25)22-11-9-16-7-4-14-27-16/h3-4,7-8,10,12-15H,1-2,5-6,9,11H2,(H,22,23)
InChIKeyHJFMZCWKCPQKDM-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 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine?
The IUPAC name of 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine (CID 162654840) is 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine.
What is the SMILES notation for 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine?
The canonical SMILES for 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine is c1coc(-c2nc3c(NCCc4cccs4)ccnc3n2C2CCCC2)c1.
What is the InChIKey of 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine?
The InChIKey is HJFMZCWKCPQKDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4OS/c1-2-6-15(5-1)25-20(18-8-3-13-26-18)24-19-17(10-12-23-21(19)25)22-11-9-16-7-4-14-27-16/h3-4,7-8,10,12-15H,1-2,5-6,9,11H2,(H,22,23).
What are the key properties of 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine?
3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-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 3-cyclopentyl-2-(furan-2-yl)-N-(2-thiophen-2-ylethyl)imidazo[4,5-b]pyridin-7-amine is sourced from PubChem (CID 162654840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).