5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C32H25FN6O5S — CID 71509134

About 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 71509134) has the molecular formula C32H25FN6O5S and a molecular weight of 624.65 g/mol. Its IUPAC name is 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• PubChem CID: 71509134
• Molecular Formula: C32H25FN6O5S
• Molecular Weight: 624.65 g/mol
• Exact Mass: 624.16
• IUPAC Name: 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc(OC)c(-c4cc5c(C#N)nccc5[nH]4)n3)cc12
• InChI: InChI=1S/C32H25FN6O5S/c1-35-32(40)29-21-13-20(26(39(2)45(4,41)42)15-28(21)44-31(29)17-5-7-18(33)8-6-17)22-9-10-27(43-3)30(38-22)24-14-19-23(37-24)11-12-36-25(19)16-34/h5-15,37H,1-4H3,(H,35,40)
• InChIKey: VHVAAVYTOKLISH-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 154.21 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 45
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	624.65
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The IUPAC name of 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 71509134) is 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The canonical SMILES for 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-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(-c3ccc(OC)c(-c4cc5c(C#N)nccc5[nH]4)n3)cc12.

What is the InChIKey of 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The InChIKey is VHVAAVYTOKLISH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H25FN6O5S/c1-35-32(40)29-21-13-20(26(39(2)45(4,41)42)15-28(21)44-31(29)17-5-7-18(33)8-6-17)22-9-10-27(43-3)30(38-22)24-14-19-23(37-24)11-12-36-25(19)16-34/h5-15,37H,1-4H3,(H,35,40).

What are the key properties of 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 624.65 g/mol, XLogP of 5.48, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(4-cyano-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-methoxy-2-pyridinyl]-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71509134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).