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

C30H24F5N5O4 — CID 85473091

IUPAC5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-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(F)c(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C30H24F5N5O4/c1-29(2,28-37-14-43-40-28)39-25(41)19-12-16(6-9-21(19)32)18-13-20-23(26(42)36-3)24(15-4-7-17(31)8-5-15)44-27(20)38-22(18)10-11-30(33,34)35/h4-9,12-14H,10-11H2,1-3H3,(H,36,42)(H,39,41)
InChIKeyXXKZLVTVYCBMNP-UHFFFAOYSA-N
MW613.54 g/mol
LogP6.34
Rot. Bonds8

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

5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 85473091) has the molecular formula C30H24F5N5O4 and a molecular weight of 613.54 g/mol. Its IUPAC name is 5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID85473091
Molecular FormulaC30H24F5N5O4
Molecular Weight613.54 g/mol
Exact Mass613.17
IUPAC Name5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-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(F)c(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C30H24F5N5O4/c1-29(2,28-37-14-43-40-28)39-25(41)19-12-16(6-9-21(19)32)18-13-20-23(26(42)36-3)24(15-4-7-17(31)8-5-15)44-27(20)38-22(18)10-11-30(33,34)35/h4-9,12-14H,10-11H2,1-3H3,(H,36,42)(H,39,41)
InChIKeyXXKZLVTVYCBMNP-UHFFFAOYSA-N
XLogP6.34
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500613.54
LogP ≤ 56.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 85473091) is 5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-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(F)c(C(=O)NC(C)(C)c4ncon4)c3)cc12.
What is the InChIKey of 5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is XXKZLVTVYCBMNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24F5N5O4/c1-29(2,28-37-14-43-40-28)39-25(41)19-12-16(6-9-21(19)32)18-13-20-23(26(42)36-3)24(15-4-7-17(31)8-5-15)44-27(20)38-22(18)10-11-30(33,34)35/h4-9,12-14H,10-11H2,1-3H3,(H,36,42)(H,39,41).
What are the key properties of 5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 613.54 g/mol, XLogP of 6.34, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 85473091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).