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

C30H26F4N6O4 — CID 90441731

IUPAC2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(C)c(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C30H26F4N6O4/c1-15-19(25(41)39-29(2,3)28-37-14-43-40-28)11-17(13-36-15)20-12-21-23(26(42)35-4)24(16-5-7-18(31)8-6-16)44-27(21)38-22(20)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)
InChIKeyMUPDLSKFQROTAY-UHFFFAOYSA-N
MW610.57 g/mol
LogP5.91
Rot. Bonds8

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

2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (PubChem CID 90441731) has the molecular formula C30H26F4N6O4 and a molecular weight of 610.57 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
PubChem CID90441731
Molecular FormulaC30H26F4N6O4
Molecular Weight610.57 g/mol
Exact Mass610.20
IUPAC Name2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2nc(CCC(F)(F)F)c(-c3cnc(C)c(C(=O)NC(C)(C)c4ncon4)c3)cc12
InChIInChI=1S/C30H26F4N6O4/c1-15-19(25(41)39-29(2,3)28-37-14-43-40-28)11-17(13-36-15)20-12-21-23(26(42)35-4)24(16-5-7-18(31)8-6-16)44-27(21)38-22(20)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41)
InChIKeyMUPDLSKFQROTAY-UHFFFAOYSA-N
XLogP5.91
TPSA136.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500610.57
LogP ≤ 55.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-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-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide (CID 90441731) is 2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-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(-c3cnc(C)c(C(=O)NC(C)(C)c4ncon4)c3)cc12.
What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
The InChIKey is MUPDLSKFQROTAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F4N6O4/c1-15-19(25(41)39-29(2,3)28-37-14-43-40-28)11-17(13-36-15)20-12-21-23(26(42)35-4)24(16-5-7-18(31)8-6-16)44-27(21)38-22(20)9-10-30(32,33)34/h5-8,11-14H,9-10H2,1-4H3,(H,35,42)(H,39,41).
What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide?
2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide has a molecular weight of 610.57 g/mol, XLogP of 5.91, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-methyl-5-[6-methyl-5-[2-(1,2,4-oxadiazol-3-yl)propan-2-ylcarbamoyl]-3-pyridinyl]-6-(3,3,3-trifluoropropyl)furo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 90441731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).