(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate

C18H13FN2O2S — CID 9380419

IUPAC(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate
SMILESCc1ccc2nc(COC(=O)c3cc4cc(F)ccc4s3)cn2c1
InChIInChI=1S/C18H13FN2O2S/c1-11-2-5-17-20-14(9-21(17)8-11)10-23-18(22)16-7-12-6-13(19)3-4-15(12)24-16/h2-9H,10H2,1H3
InChIKeyFLGVKAXBFPHUOE-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.35
Rot. Bonds3

About (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate

(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate (PubChem CID 9380419) has the molecular formula C18H13FN2O2S and a molecular weight of 340.38 g/mol. Its IUPAC name is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate.

Molecular Properties

Compound Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate
PubChem CID9380419
Molecular FormulaC18H13FN2O2S
Molecular Weight340.38 g/mol
Exact Mass340.07
IUPAC Name(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate
SMILESCc1ccc2nc(COC(=O)c3cc4cc(F)ccc4s3)cn2c1
InChIInChI=1S/C18H13FN2O2S/c1-11-2-5-17-20-14(9-21(17)8-11)10-23-18(22)16-7-12-6-13(19)3-4-15(12)24-16/h2-9H,10H2,1H3
InChIKeyFLGVKAXBFPHUOE-UHFFFAOYSA-N
XLogP4.35
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate?
The IUPAC name of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate (CID 9380419) is (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate.
What is the SMILES notation for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate?
The canonical SMILES for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate is Cc1ccc2nc(COC(=O)c3cc4cc(F)ccc4s3)cn2c1.
What is the InChIKey of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate?
The InChIKey is FLGVKAXBFPHUOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13FN2O2S/c1-11-2-5-17-20-14(9-21(17)8-11)10-23-18(22)16-7-12-6-13(19)3-4-15(12)24-16/h2-9H,10H2,1H3.
What are the key properties of (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate?
(6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate has a molecular weight of 340.38 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methylimidazo[1,2-a]pyridin-2-yl)methyl 5-fluoro-1-benzothiophene-2-carboxylate is sourced from PubChem (CID 9380419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).