(2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one

C26H19ClFN3O2S2 — CID 134820916

IUPAC(2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one
SMILESO=C1N[C@](c2ccsc2)(c2cccc(Nc3ccc(F)cc3)n2)CC(O)=C1Sc1ccccc1Cl
InChIInChI=1S/C26H19ClFN3O2S2/c27-19-4-1-2-5-21(19)35-24-20(32)14-26(31-25(24)33,16-12-13-34-15-16)22-6-3-7-23(30-22)29-18-10-8-17(28)9-11-18/h1-13,15,32H,14H2,(H,29,30)(H,31,33)/t26-/m1/s1
InChIKeyDWLKRUDKKCFGMS-AREMUKBSSA-N
MW524.04 g/mol
LogP7.00
Rot. Bonds6

About (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one

(2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one (PubChem CID 134820916) has the molecular formula C26H19ClFN3O2S2 and a molecular weight of 524.04 g/mol. Its IUPAC name is (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one.

Molecular Properties

Compound Name(2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one
PubChem CID134820916
Molecular FormulaC26H19ClFN3O2S2
Molecular Weight524.04 g/mol
Exact Mass523.06
IUPAC Name(2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one
SMILESO=C1N[C@](c2ccsc2)(c2cccc(Nc3ccc(F)cc3)n2)CC(O)=C1Sc1ccccc1Cl
InChIInChI=1S/C26H19ClFN3O2S2/c27-19-4-1-2-5-21(19)35-24-20(32)14-26(31-25(24)33,16-12-13-34-15-16)22-6-3-7-23(30-22)29-18-10-8-17(28)9-11-18/h1-13,15,32H,14H2,(H,29,30)(H,31,33)/t26-/m1/s1
InChIKeyDWLKRUDKKCFGMS-AREMUKBSSA-N
XLogP7.00
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.04
LogP ≤ 57.00
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one?
The IUPAC name of (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one (CID 134820916) is (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one.
What is the SMILES notation for (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one?
The canonical SMILES for (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one is O=C1N[C@](c2ccsc2)(c2cccc(Nc3ccc(F)cc3)n2)CC(O)=C1Sc1ccccc1Cl.
What is the InChIKey of (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one?
The InChIKey is DWLKRUDKKCFGMS-AREMUKBSSA-N. The full InChI is InChI=1S/C26H19ClFN3O2S2/c27-19-4-1-2-5-21(19)35-24-20(32)14-26(31-25(24)33,16-12-13-34-15-16)22-6-3-7-23(30-22)29-18-10-8-17(28)9-11-18/h1-13,15,32H,14H2,(H,29,30)(H,31,33)/t26-/m1/s1.
What are the key properties of (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one?
(2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one has a molecular weight of 524.04 g/mol, XLogP of 7.00, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-5-(2-chlorophenyl)sulfanyl-2-[6-(4-fluoroanilino)-2-pyridinyl]-4-hydroxy-2-thiophen-3-yl-1,3-dihydropyridin-6-one is sourced from PubChem (CID 134820916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).