2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C31H26FN5O4S — CID 89434418

About 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 89434418) has the molecular formula C31H26FN5O4S and a molecular weight of 583.65 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• PubChem CID: 89434418
• Molecular Formula: C31H26FN5O4S
• Molecular Weight: 583.65 g/mol
• Exact Mass: 583.17
• IUPAC Name: 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4cn5ccc(C)cc5n4)c3)cc12
• InChI: InChI=1S/C31H26FN5O4S/c1-18-9-10-37-17-25(35-28(37)11-18)21-12-20(15-34-16-21)23-13-24-27(14-26(23)36(3)42(4,39)40)41-30(29(24)31(38)33-2)19-5-7-22(32)8-6-19/h5-17H,1-4H3,(H,33,38)
• InChIKey: VREYLPOCZDICBA-UHFFFAOYSA-N
• XLogP: 5.68
• TPSA: 109.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	583.65
LogP ≤ 5	5.68
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 89434418) is 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3cncc(-c4cn5ccc(C)cc5n4)c3)cc12.

What is the InChIKey of 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

The InChIKey is VREYLPOCZDICBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26FN5O4S/c1-18-9-10-37-17-25(35-28(37)11-18)21-12-20(15-34-16-21)23-13-24-27(14-26(23)36(3)42(4,39)40)41-30(29(24)31(38)33-2)19-5-7-22(32)8-6-19/h5-17H,1-4H3,(H,33,38).

What are the key properties of 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide?

2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 583.65 g/mol, XLogP of 5.68, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-N-methyl-5-[5-(7-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 89434418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).