2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C30H24FN5O5S2 — CID 71509258

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

2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 71509258) has the molecular formula C30H24FN5O5S2 and a molecular weight of 617.68 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• PubChem CID: 71509258
• Molecular Formula: C30H24FN5O5S2
• Molecular Weight: 617.68 g/mol
• Exact Mass: 617.12
• IUPAC Name: 2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-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(-c3cnc(OC)c(-c4nc5ncccc5s4)c3)cc12
• InChI: InChI=1S/C30H24FN5O5S2/c1-32-28(37)25-20-13-19(17-12-21(29(40-3)34-15-17)30-35-27-24(42-30)6-5-11-33-27)22(36(2)43(4,38)39)14-23(20)41-26(25)16-7-9-18(31)10-8-16/h5-15H,1-4H3,(H,32,37)
• InChIKey: SLWZIVDDPWAOPR-UHFFFAOYSA-N
• XLogP: 5.74
• TPSA: 127.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	617.68
LogP ≤ 5	5.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of 2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 71509258) is 2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-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(-c3cnc(OC)c(-c4nc5ncccc5s4)c3)cc12.

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

The InChIKey is SLWZIVDDPWAOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O5S2/c1-32-28(37)25-20-13-19(17-12-21(29(40-3)34-15-17)30-35-27-24(42-30)6-5-11-33-27)22(36(2)43(4,38)39)14-23(20)41-26(25)16-7-9-18(31)10-8-16/h5-15H,1-4H3,(H,32,37).

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

2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 617.68 g/mol, XLogP of 5.74, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-fluorophenyl)-5-[6-methoxy-5-([1,3]thiazolo[4,5-b]pyridin-2-yl)-3-pyridinyl]-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 71509258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).