8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine

C18H14ClN3O2S — CID 145386147

IUPAC8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Oc2cc(-c3c(C)nc4c(Cl)cccn34)cs2)cn1
InChIInChI=1S/C18H14ClN3O2S/c1-11-17(22-7-3-4-14(19)18(22)21-11)12-8-16(25-10-12)24-13-5-6-15(23-2)20-9-13/h3-10H,1-2H3
InChIKeyFOSJAKGRZHLFND-UHFFFAOYSA-N
MW371.85 g/mol
LogP5.22
Rot. Bonds4

About 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine

8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine (PubChem CID 145386147) has the molecular formula C18H14ClN3O2S and a molecular weight of 371.85 g/mol. Its IUPAC name is 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine
PubChem CID145386147
Molecular FormulaC18H14ClN3O2S
Molecular Weight371.85 g/mol
Exact Mass371.05
IUPAC Name8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(Oc2cc(-c3c(C)nc4c(Cl)cccn34)cs2)cn1
InChIInChI=1S/C18H14ClN3O2S/c1-11-17(22-7-3-4-14(19)18(22)21-11)12-8-16(25-10-12)24-13-5-6-15(23-2)20-9-13/h3-10H,1-2H3
InChIKeyFOSJAKGRZHLFND-UHFFFAOYSA-N
XLogP5.22
TPSA48.65 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.85
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine?
The IUPAC name of 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine (CID 145386147) is 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine is COc1ccc(Oc2cc(-c3c(C)nc4c(Cl)cccn34)cs2)cn1.
What is the InChIKey of 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine?
The InChIKey is FOSJAKGRZHLFND-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3O2S/c1-11-17(22-7-3-4-14(19)18(22)21-11)12-8-16(25-10-12)24-13-5-6-15(23-2)20-9-13/h3-10H,1-2H3.
What are the key properties of 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine?
8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine has a molecular weight of 371.85 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-chloro-3-[5-[(6-methoxy-3-pyridinyl)oxy]thiophen-3-yl]-2-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 145386147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).