5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C32H26F2N4O5S — CID 89436479

IUPAC5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5c(F)cccc5[nH]4)ncc3OC)cc12
InChIInChI=1S/C32H26F2N4O5S/c1-35-32(39)30-22-12-19(20-13-25(36-16-29(20)42-3)26-14-21-23(34)6-5-7-24(21)37-26)27(38(2)44(4,40)41)15-28(22)43-31(30)17-8-10-18(33)11-9-17/h5-16,37H,1-4H3,(H,35,39)
InChIKeyANZAMXIPRNBARO-UHFFFAOYSA-N
MW616.65 g/mol
LogP6.35
Rot. Bonds7

About 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 89436479) has the molecular formula C32H26F2N4O5S and a molecular weight of 616.65 g/mol. Its IUPAC name is 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
PubChem CID89436479
Molecular FormulaC32H26F2N4O5S
Molecular Weight616.65 g/mol
Exact Mass616.16
IUPAC Name5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
SMILESCNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5c(F)cccc5[nH]4)ncc3OC)cc12
InChIInChI=1S/C32H26F2N4O5S/c1-35-32(39)30-22-12-19(20-13-25(36-16-29(20)42-3)26-14-21-23(34)6-5-7-24(21)37-26)27(38(2)44(4,40)41)15-28(22)43-31(30)17-8-10-18(33)11-9-17/h5-16,37H,1-4H3,(H,35,39)
InChIKeyANZAMXIPRNBARO-UHFFFAOYSA-N
XLogP6.35
TPSA117.53 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500616.65
LogP ≤ 56.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The IUPAC name of 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 89436479) is 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.
What is the SMILES notation for 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The canonical SMILES for 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cc(-c4cc5c(F)cccc5[nH]4)ncc3OC)cc12.
What is the InChIKey of 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
The InChIKey is ANZAMXIPRNBARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N4O5S/c1-35-32(39)30-22-12-19(20-13-25(36-16-29(20)42-3)26-14-21-23(34)6-5-7-24(21)37-26)27(38(2)44(4,40)41)15-28(22)43-31(30)17-8-10-18(33)11-9-17/h5-16,37H,1-4H3,(H,35,39).
What are the key properties of 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?
5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 616.65 g/mol, XLogP of 6.35, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-fluoro-1H-indol-2-yl)-5-methoxy-4-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 89436479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).