[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

C17H18N4OS — CID 53191151

IUPAC[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCCn1c(C2CCN(C(=O)c3ccsc3)C2)nc2cccnc21
InChIInChI=1S/C17H18N4OS/c1-2-21-15(19-14-4-3-7-18-16(14)21)12-5-8-20(10-12)17(22)13-6-9-23-11-13/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3
InChIKeyJSKZGNWDZVMUIB-UHFFFAOYSA-N
MW326.42 g/mol
LogP3.14
Rot. Bonds3

About [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone

[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (PubChem CID 53191151) has the molecular formula C17H18N4OS and a molecular weight of 326.42 g/mol. Its IUPAC name is [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.

Molecular Properties

Compound Name[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
PubChem CID53191151
Molecular FormulaC17H18N4OS
Molecular Weight326.42 g/mol
Exact Mass326.12
IUPAC Name[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone
SMILESCCn1c(C2CCN(C(=O)c3ccsc3)C2)nc2cccnc21
InChIInChI=1S/C17H18N4OS/c1-2-21-15(19-14-4-3-7-18-16(14)21)12-5-8-20(10-12)17(22)13-6-9-23-11-13/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3
InChIKeyJSKZGNWDZVMUIB-UHFFFAOYSA-N
XLogP3.14
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.42
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The IUPAC name of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone (CID 53191151) is [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone.
What is the SMILES notation for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The canonical SMILES for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is CCn1c(C2CCN(C(=O)c3ccsc3)C2)nc2cccnc21.
What is the InChIKey of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
The InChIKey is JSKZGNWDZVMUIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4OS/c1-2-21-15(19-14-4-3-7-18-16(14)21)12-5-8-20(10-12)17(22)13-6-9-23-11-13/h3-4,6-7,9,11-12H,2,5,8,10H2,1H3.
What are the key properties of [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone?
[3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone has a molecular weight of 326.42 g/mol, XLogP of 3.14, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-thiophen-3-ylmethanone is sourced from PubChem (CID 53191151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).