2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone

C22H26N2O4S — CID 165018408

IUPAC2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1scc(C)c1OC
InChIInChI=1S/C22H26N2O4S/c1-4-28-19-10-20-23-17(15-5-7-27-8-6-15)12-24(20)11-16(19)9-18(25)22-21(26-3)14(2)13-29-22/h10-13,15H,4-9H2,1-3H3
InChIKeyKUAQPJRMSVCPRF-UHFFFAOYSA-N
MW414.53 g/mol
LogP4.43
Rot. Bonds7

About 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone

2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone (PubChem CID 165018408) has the molecular formula C22H26N2O4S and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone.

Molecular Properties

Compound Name2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone
PubChem CID165018408
Molecular FormulaC22H26N2O4S
Molecular Weight414.53 g/mol
Exact Mass414.16
IUPAC Name2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone
SMILESCCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1scc(C)c1OC
InChIInChI=1S/C22H26N2O4S/c1-4-28-19-10-20-23-17(15-5-7-27-8-6-15)12-24(20)11-16(19)9-18(25)22-21(26-3)14(2)13-29-22/h10-13,15H,4-9H2,1-3H3
InChIKeyKUAQPJRMSVCPRF-UHFFFAOYSA-N
XLogP4.43
TPSA62.06 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.53
LogP ≤ 54.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone?
The IUPAC name of 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone (CID 165018408) is 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone.
What is the SMILES notation for 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone?
The canonical SMILES for 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone is CCOc1cc2nc(C3CCOCC3)cn2cc1CC(=O)c1scc(C)c1OC.
What is the InChIKey of 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone?
The InChIKey is KUAQPJRMSVCPRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O4S/c1-4-28-19-10-20-23-17(15-5-7-27-8-6-15)12-24(20)11-16(19)9-18(25)22-21(26-3)14(2)13-29-22/h10-13,15H,4-9H2,1-3H3.
What are the key properties of 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone?
2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone has a molecular weight of 414.53 g/mol, XLogP of 4.43, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-ethoxy-2-(oxan-4-yl)imidazo[1,2-a]pyridin-6-yl]-1-(3-methoxy-4-methylthiophen-2-yl)ethanone is sourced from PubChem (CID 165018408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).