3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide

C23H20FN3O2S — CID 56530513

IUPAC3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
SMILESO=C(CCSc1ccccc1F)Nc1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C23H20FN3O2S/c24-20-8-1-2-9-21(20)30-13-11-23(28)26-17-6-5-7-19(14-17)29-16-18-15-27-12-4-3-10-22(27)25-18/h1-10,12,14-15H,11,13,16H2,(H,26,28)
InChIKeyOUNACXHDFNZKDN-UHFFFAOYSA-N
MW421.50 g/mol
LogP5.17
Rot. Bonds8

About 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide

3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide (PubChem CID 56530513) has the molecular formula C23H20FN3O2S and a molecular weight of 421.50 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
PubChem CID56530513
Molecular FormulaC23H20FN3O2S
Molecular Weight421.50 g/mol
Exact Mass421.13
IUPAC Name3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
SMILESO=C(CCSc1ccccc1F)Nc1cccc(OCc2cn3ccccc3n2)c1
InChIInChI=1S/C23H20FN3O2S/c24-20-8-1-2-9-21(20)30-13-11-23(28)26-17-6-5-7-19(14-17)29-16-18-15-27-12-4-3-10-22(27)25-18/h1-10,12,14-15H,11,13,16H2,(H,26,28)
InChIKeyOUNACXHDFNZKDN-UHFFFAOYSA-N
XLogP5.17
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.50
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-chloro-N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582434
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]benzamide
CID 56582393
2-(2-amino-2-oxoethyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56537715
3,4-difluoro-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]benzamide
CID 56530610
(E)-3-(2-fluorophenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]prop-2-enamide
CID 56582329
N-[3-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-3-oxopropyl]-2-methylbenzamide
CID 56582654
4-(4-ethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56537727
3-(3-but-3-ynyldiazirin-3-yl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide
CID 167801991
N-[4-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)anilino]-4-oxobutyl]-2,2-dimethylpropanamide
CID 56537785
4-(3,4-dimethylphenyl)-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-4-oxobutanamide
CID 56582359
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]-2-[(5-oxo-1,4-dihydro-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 167874535
N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]naphthalene-1-carboxamide
CID 56537813

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide?
The IUPAC name of 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide (CID 56530513) is 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide.
What is the SMILES notation for 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide?
The canonical SMILES for 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide is O=C(CCSc1ccccc1F)Nc1cccc(OCc2cn3ccccc3n2)c1.
What is the InChIKey of 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide?
The InChIKey is OUNACXHDFNZKDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O2S/c24-20-8-1-2-9-21(20)30-13-11-23(28)26-17-6-5-7-19(14-17)29-16-18-15-27-12-4-3-10-22(27)25-18/h1-10,12,14-15H,11,13,16H2,(H,26,28).
What are the key properties of 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide?
3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide has a molecular weight of 421.50 g/mol, XLogP of 5.17, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfanyl-N-[3-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propanamide is sourced from PubChem (CID 56530513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).