(2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide

C31H27FN6O4 — CID 71599805

IUPAC(2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
SMILESCOc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C31H27FN6O4/c1-19(20-3-8-23(32)9-4-20)29(39)33-24-10-5-21(6-11-24)22-7-14-28-35-30(36-38(28)18-22)34-26-13-12-25(17-27(26)41-2)37-15-16-42-31(37)40/h3-14,17-19H,15-16H2,1-2H3,(H,33,39)(H,34,36)/t19-/m1/s1
InChIKeySHWCNYPROTZRQA-LJQANCHMSA-N
MW566.59 g/mol
LogP5.99
Rot. Bonds8

About (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide

(2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide (PubChem CID 71599805) has the molecular formula C31H27FN6O4 and a molecular weight of 566.59 g/mol. Its IUPAC name is (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide.

Molecular Properties

Compound Name(2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
PubChem CID71599805
Molecular FormulaC31H27FN6O4
Molecular Weight566.59 g/mol
Exact Mass566.21
IUPAC Name(2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide
SMILESCOc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1
InChIInChI=1S/C31H27FN6O4/c1-19(20-3-8-23(32)9-4-20)29(39)33-24-10-5-21(6-11-24)22-7-14-28-35-30(36-38(28)18-22)34-26-13-12-25(17-27(26)41-2)37-15-16-42-31(37)40/h3-14,17-19H,15-16H2,1-2H3,(H,33,39)(H,34,36)/t19-/m1/s1
InChIKeySHWCNYPROTZRQA-LJQANCHMSA-N
XLogP5.99
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500566.59
LogP ≤ 55.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide?
The IUPAC name of (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide (CID 71599805) is (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide.
What is the SMILES notation for (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide?
The canonical SMILES for (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide is COc1cc(N2CCOC2=O)ccc1Nc1nc2ccc(-c3ccc(NC(=O)[C@H](C)c4ccc(F)cc4)cc3)cn2n1.
What is the InChIKey of (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide?
The InChIKey is SHWCNYPROTZRQA-LJQANCHMSA-N. The full InChI is InChI=1S/C31H27FN6O4/c1-19(20-3-8-23(32)9-4-20)29(39)33-24-10-5-21(6-11-24)22-7-14-28-35-30(36-38(28)18-22)34-26-13-12-25(17-27(26)41-2)37-15-16-42-31(37)40/h3-14,17-19H,15-16H2,1-2H3,(H,33,39)(H,34,36)/t19-/m1/s1.
What are the key properties of (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide?
(2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide has a molecular weight of 566.59 g/mol, XLogP of 5.99, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(4-fluorophenyl)-N-[4-[2-[2-methoxy-4-(2-oxo-1,3-oxazolidin-3-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propanamide is sourced from PubChem (CID 71599805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).