3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

C15H16N4OS — CID 79817492

IUPAC3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCCOc1ccc2[nH]c(-c3c(N)sc4c3CCC4)nc2n1
InChIInChI=1S/C15H16N4OS/c1-2-20-11-7-6-9-14(18-11)19-15(17-9)12-8-4-3-5-10(8)21-13(12)16/h6-7H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyVUJMXJGIZQHPOT-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.16
Rot. Bonds3

About 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine

3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (PubChem CID 79817492) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.

Molecular Properties

Compound Name3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
PubChem CID79817492
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine
SMILESCCOc1ccc2[nH]c(-c3c(N)sc4c3CCC4)nc2n1
InChIInChI=1S/C15H16N4OS/c1-2-20-11-7-6-9-14(18-11)19-15(17-9)12-8-4-3-5-10(8)21-13(12)16/h6-7H,2-5,16H2,1H3,(H,17,18,19)
InChIKeyVUJMXJGIZQHPOT-UHFFFAOYSA-N
XLogP3.16
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The IUPAC name of 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine (CID 79817492) is 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine.
What is the SMILES notation for 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The canonical SMILES for 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is CCOc1ccc2[nH]c(-c3c(N)sc4c3CCC4)nc2n1.
What is the InChIKey of 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
The InChIKey is VUJMXJGIZQHPOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-2-20-11-7-6-9-14(18-11)19-15(17-9)12-8-4-3-5-10(8)21-13(12)16/h6-7H,2-5,16H2,1H3,(H,17,18,19).
What are the key properties of 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine?
3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine has a molecular weight of 300.39 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)-5,6-dihydro-4H-cyclopenta[b]thiophen-2-amine is sourced from PubChem (CID 79817492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).