4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

C24H18FN3O2S — CID 31343525

IUPAC4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cn2ccccc2n1)c1sc2cccc(F)c2c1COc1ccccc1
InChIInChI=1S/C24H18FN3O2S/c25-19-9-6-10-20-22(19)18(15-30-17-7-2-1-3-8-17)23(31-20)24(29)26-13-16-14-28-12-5-4-11-21(28)27-16/h1-12,14H,13,15H2,(H,26,29)
InChIKeyREEPVJRUXLKPQA-UHFFFAOYSA-N
MW431.49 g/mol
LogP5.20
Rot. Bonds6

About 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide

4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide (PubChem CID 31343525) has the molecular formula C24H18FN3O2S and a molecular weight of 431.49 g/mol. Its IUPAC name is 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide.

Molecular Properties

Compound Name4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
PubChem CID31343525
Molecular FormulaC24H18FN3O2S
Molecular Weight431.49 g/mol
Exact Mass431.11
IUPAC Name4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
SMILESO=C(NCc1cn2ccccc2n1)c1sc2cccc(F)c2c1COc1ccccc1
InChIInChI=1S/C24H18FN3O2S/c25-19-9-6-10-20-22(19)18(15-30-17-7-2-1-3-8-17)23(31-20)24(29)26-13-16-14-28-12-5-4-11-21(28)27-16/h1-12,14H,13,15H2,(H,26,29)
InChIKeyREEPVJRUXLKPQA-UHFFFAOYSA-N
XLogP5.20
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.49
LogP ≤ 55.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(cyclopropylmethyl)-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 55545447
4-fluoro-N-(3-hydroxypropyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 78854502
4-fluoro-N-[2-[(2-fluorobenzoyl)amino]ethyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 55974311
N'-benzoyl-4-fluoro-3-(phenoxymethyl)-1-benzothiophene-2-carbohydrazide
CID 46510072
4-fluoro-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 42118869
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-[4-fluoro-3-(phenoxymethyl)-1-benzothiophen-2-yl]methanone
CID 120660147
2-(phenoxymethyl)imidazo[1,2-a]pyridine
CID 4702052
2-N,6-N-bis(imidazo[1,2-a]pyridin-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 43063902
4-fluoro-3-(methoxymethyl)-N-[[2-(methoxymethyl)phenyl]methyl]-1-benzothiophene-2-carboxamide
CID 32603940
4-fluoro-N-[3-(3-oxo-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-2-yl)propyl]-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide
CID 55866632
2-(4-chlorophenoxy)-N-(imidazo[1,2-a]pyridin-2-ylmethyl)acetamide
CID 8917153
4-fluoro-3-(phenoxymethyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)-1-benzothiophene-2-carboxamide
CID 55803871

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide?
The IUPAC name of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide (CID 31343525) is 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide.
What is the SMILES notation for 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide?
The canonical SMILES for 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide is O=C(NCc1cn2ccccc2n1)c1sc2cccc(F)c2c1COc1ccccc1.
What is the InChIKey of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide?
The InChIKey is REEPVJRUXLKPQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18FN3O2S/c25-19-9-6-10-20-22(19)18(15-30-17-7-2-1-3-8-17)23(31-20)24(29)26-13-16-14-28-12-5-4-11-21(28)27-16/h1-12,14H,13,15H2,(H,26,29).
What are the key properties of 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide?
4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide has a molecular weight of 431.49 g/mol, XLogP of 5.20, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-(imidazo[1,2-a]pyridin-2-ylmethyl)-3-(phenoxymethyl)-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 31343525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).