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

C30H26F4N6O5 — CID 85471811

IUPAC5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILES[2H]c1nc(C(C)(C)NC(=O)c2cc(-c3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4nc3CCC(F)(F)F)cnc2OC([2H])([2H])[2H])no1
InChIInChI=1S/C30H26F4N6O5/c1-29(2,28-37-14-44-40-28)39-24(41)20-11-16(13-36-26(20)43-4)18-12-19-22(25(42)35-3)23(15-5-7-17(31)8-6-15)45-27(19)38-21(18)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)/i4D3,14D
InChIKeyRIVZWIZZJKKNQV-FTZWVGBKSA-N
MW630.59 g/mol
LogP5.61
Rot. Bonds10

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

5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 85471811) has the molecular formula C30H26F4N6O5 and a molecular weight of 630.59 g/mol. Its IUPAC name is 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID85471811
Molecular FormulaC30H26F4N6O5
Molecular Weight630.59 g/mol
Exact Mass630.22
IUPAC Name5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILES[2H]c1nc(C(C)(C)NC(=O)c2cc(-c3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4nc3CCC(F)(F)F)cnc2OC([2H])([2H])[2H])no1
InChIInChI=1S/C30H26F4N6O5/c1-29(2,28-37-14-44-40-28)39-24(41)20-11-16(13-36-26(20)43-4)18-12-19-22(25(42)35-3)23(15-5-7-17(31)8-6-15)45-27(19)38-21(18)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)/i4D3,14D
InChIKeyRIVZWIZZJKKNQV-FTZWVGBKSA-N
XLogP5.61
TPSA145.27 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500630.59
LogP ≤ 55.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-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 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 85471811) is 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is [2H]c1nc(C(C)(C)NC(=O)c2cc(-c3cc4c(C(=O)NC)c(-c5ccc(F)cc5)oc4nc3CCC(F)(F)F)cnc2OC([2H])([2H])[2H])no1.
What is the InChIKey of 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is RIVZWIZZJKKNQV-FTZWVGBKSA-N. The full InChI is InChI=1S/C30H26F4N6O5/c1-29(2,28-37-14-44-40-28)39-24(41)20-11-16(13-36-26(20)43-4)18-12-19-22(25(42)35-3)23(15-5-7-17(31)8-6-15)45-27(19)38-21(18)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)/i4D3,14D.
What are the key properties of 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 630.59 g/mol, XLogP of 5.61, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[2-(5-deuterio-1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-6-(trideuteriomethoxy)-3-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 85471811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).