2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

C29H25F4N7O5 — CID 85471813

About 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide

2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 85471813) has the molecular formula C29H25F4N7O5 and a molecular weight of 633.59 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• PubChem CID: 85471813
• Molecular Formula: C29H25F4N7O5
• Molecular Weight: 633.59 g/mol
• Exact Mass: 633.22
• IUPAC Name: 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide
• SMILES: [2H]C([2H])([2H])C(NC(=O)c1cc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3nc2NCC(F)(F)F)cnc1OC)(c1ncon1)C([2H])([2H])[2H]
• InChI: InChI=1S/C29H25F4N7O5/c1-28(2,27-37-13-44-40-27)39-23(41)19-9-15(11-35-25(19)43-4)17-10-18-20(24(42)34-3)21(14-5-7-16(30)8-6-14)45-26(18)38-22(17)36-12-29(31,32)33/h5-11,13H,12H2,1-4H3,(H,34,42)(H,36,38)(H,39,41)/i1D3,2D3
• InChIKey: YIRZMFKZKKQVFW-WFGJKAKNSA-N
• XLogP: 5.09
• TPSA: 157.30 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 11
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	633.59
LogP ≤ 5	5.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide (CID 85471813) is 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is [2H]C([2H])([2H])C(NC(=O)c1cc(-c2cc3c(C(=O)NC)c(-c4ccc(F)cc4)oc3nc2NCC(F)(F)F)cnc1OC)(c1ncon1)C([2H])([2H])[2H].

What is the InChIKey of 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

The InChIKey is YIRZMFKZKKQVFW-WFGJKAKNSA-N. The full InChI is InChI=1S/C29H25F4N7O5/c1-28(2,27-37-13-44-40-27)39-23(41)19-9-15(11-35-25(19)43-4)17-10-18-20(24(42)34-3)21(14-5-7-16(30)8-6-14)45-26(18)38-22(17)36-12-29(31,32)33/h5-11,13H,12H2,1-4H3,(H,34,42)(H,36,38)(H,39,41)/i1D3,2D3.

What are the key properties of 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide?

2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 633.59 g/mol, XLogP of 5.09, 11 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-5-[5-[[1,1,1,3,3,3-hexadeuterio-2-(1,2,4-oxadiazol-3-yl)propan-2-yl]carbamoyl]-6-methoxy-3-pyridinyl]-N-methyl-6-(2,2,2-trifluoroethylamino)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 85471813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).