2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

C31H27F4N5O5 — CID 85473215

IUPAC2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C31H27F4N5O5/c1-30(2,29-37-15-44-40-29)39-26(41)20-13-17(7-10-23(20)43-4)19-14-21-24(27(42)36-3)25(16-5-8-18(32)9-6-16)45-28(21)38-22(19)11-12-31(33,34)35/h5-10,13-15H,11-12H2,1-4H3,(H,36,42)(H,39,41)
InChIKeyUQRNHYJTCGLJHY-UHFFFAOYSA-N
MW625.58 g/mol
LogP6.21
Rot. Bonds9

About 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 85473215) has the molecular formula C31H27F4N5O5 and a molecular weight of 625.58 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID85473215
Molecular FormulaC31H27F4N5O5
Molecular Weight625.58 g/mol
Exact Mass625.19
IUPAC Name2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C31H27F4N5O5/c1-30(2,29-37-15-44-40-29)39-26(41)20-13-17(7-10-23(20)43-4)19-14-21-24(27(42)36-3)25(16-5-8-18(32)9-6-16)45-28(21)38-22(19)11-12-31(33,34)35/h5-10,13-15H,11-12H2,1-4H3,(H,36,42)(H,39,41)
InChIKeyUQRNHYJTCGLJHY-UHFFFAOYSA-N
XLogP6.21
TPSA132.38 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500625.58
LogP ≤ 56.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 85473215) is 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3ccc(OC)c(C(=O)NC(C)(C)c4ncon4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is UQRNHYJTCGLJHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H27F4N5O5/c1-30(2,29-37-15-44-40-29)39-26(41)20-13-17(7-10-23(20)43-4)19-14-21-24(27(42)36-3)25(16-5-8-18(32)9-6-16)45-28(21)38-22(19)11-12-31(33,34)35/h5-10,13-15H,11-12H2,1-4H3,(H,36,42)(H,39,41).
What are the key properties of 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 625.58 g/mol, XLogP of 6.21, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[4-methoxy-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 85473215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).