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

C30H25F4N5O4 — CID 85472072

IUPAC2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C30H25F4N5O4/c1-29(2,28-36-15-42-39-28)38-25(40)18-6-4-5-17(13-18)20-14-21-23(26(41)35-3)24(16-7-9-19(31)10-8-16)43-27(21)37-22(20)11-12-30(32,33)34/h4-10,13-15H,11-12H2,1-3H3,(H,35,41)(H,38,40)
InChIKeyAZUHPIPRWNNVET-UHFFFAOYSA-N
MW595.55 g/mol
LogP6.20
Rot. Bonds8

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

2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 85472072) has the molecular formula C30H25F4N5O4 and a molecular weight of 595.55 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID85472072
Molecular FormulaC30H25F4N5O4
Molecular Weight595.55 g/mol
Exact Mass595.18
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cccc(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C30H25F4N5O4/c1-29(2,28-36-15-42-39-28)38-25(40)18-6-4-5-17(13-18)20-14-21-23(26(41)35-3)24(16-7-9-19(31)10-8-16)43-27(21)37-22(20)11-12-30(32,33)34/h4-10,13-15H,11-12H2,1-3H3,(H,35,41)(H,38,40)
InChIKeyAZUHPIPRWNNVET-UHFFFAOYSA-N
XLogP6.20
TPSA123.15 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms43
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500595.55
LogP ≤ 56.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-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)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 85472072) is 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-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(-c3cccc(C(=O)NC(C)(C)c4ncon4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is AZUHPIPRWNNVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25F4N5O4/c1-29(2,28-36-15-42-39-28)38-25(40)18-6-4-5-17(13-18)20-14-21-23(26(41)35-3)24(16-7-9-19(31)10-8-16)43-27(21)37-22(20)11-12-30(32,33)34/h4-10,13-15H,11-12H2,1-3H3,(H,35,41)(H,38,40).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 595.55 g/mol, XLogP of 6.20, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[3-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]phenyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 85472072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).