(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

C24H18F3N5O4 — CID 162425423

IUPAC(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCOc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Oc4cccc(F)n4)cc3)o2)c(F)c1
InChIInChI=1S/C24H18F3N5O4/c1-34-14-9-16(25)20(17(26)10-14)15-11-28-22(33)21(15)30-24-32-31-23(36-24)12-5-7-13(8-6-12)35-19-4-2-3-18(27)29-19/h2-10,15,21H,11H2,1H3,(H,28,33)(H,30,32)/t15-,21-/m0/s1
InChIKeyVWYWDOAVLRMAQI-BTYIYWSLSA-N
MW497.43 g/mol
LogP4.04
Rot. Bonds7

About (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one

(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (PubChem CID 162425423) has the molecular formula C24H18F3N5O4 and a molecular weight of 497.43 g/mol. Its IUPAC name is (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.

Molecular Properties

Compound Name(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
PubChem CID162425423
Molecular FormulaC24H18F3N5O4
Molecular Weight497.43 g/mol
Exact Mass497.13
IUPAC Name(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one
SMILESCOc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Oc4cccc(F)n4)cc3)o2)c(F)c1
InChIInChI=1S/C24H18F3N5O4/c1-34-14-9-16(25)20(17(26)10-14)15-11-28-22(33)21(15)30-24-32-31-23(36-24)12-5-7-13(8-6-12)35-19-4-2-3-18(27)29-19/h2-10,15,21H,11H2,1H3,(H,28,33)(H,30,32)/t15-,21-/m0/s1
InChIKeyVWYWDOAVLRMAQI-BTYIYWSLSA-N
XLogP4.04
TPSA111.40 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.43
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The IUPAC name of (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one (CID 162425423) is (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one.
What is the SMILES notation for (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The canonical SMILES for (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is COc1cc(F)c([C@@H]2CNC(=O)[C@H]2Nc2nnc(-c3ccc(Oc4cccc(F)n4)cc3)o2)c(F)c1.
What is the InChIKey of (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
The InChIKey is VWYWDOAVLRMAQI-BTYIYWSLSA-N. The full InChI is InChI=1S/C24H18F3N5O4/c1-34-14-9-16(25)20(17(26)10-14)15-11-28-22(33)21(15)30-24-32-31-23(36-24)12-5-7-13(8-6-12)35-19-4-2-3-18(27)29-19/h2-10,15,21H,11H2,1H3,(H,28,33)(H,30,32)/t15-,21-/m0/s1.
What are the key properties of (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one?
(3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one has a molecular weight of 497.43 g/mol, XLogP of 4.04, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-4-(2,6-difluoro-4-methoxyphenyl)-3-[[5-[4-[(6-fluoro-2-pyridinyl)oxy]phenyl]-1,3,4-oxadiazol-2-yl]amino]pyrrolidin-2-one is sourced from PubChem (CID 162425423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).