2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide

C68H57ClF3N9O8S2 — CID 144681531

About 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide

2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide (PubChem CID 144681531) has the molecular formula C68H57ClF3N9O8S2 and a molecular weight of 1284.84 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide
• PubChem CID: 144681531
• Molecular Formula: C68H57ClF3N9O8S2
• Molecular Weight: 1284.84 g/mol
• Exact Mass: 1283.34
• IUPAC Name: 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2ccc(C(C)C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2ccc(F)cc2Cl)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
• InChI: InChI=1S/C35H32FN5O4S.C33H25ClF2N4O4S/c1-19(2)26-11-10-21(18-38-26)34-32(35(42)37-3)24-15-23(29(17-31(24)45-34)40(4)46(5,43)44)27-12-9-20-13-14-41-28-8-6-7-25(36)22(28)16-30(41)33(20)39-27;1-37-33(41)30-22-14-21(25-10-7-17-11-12-40-26-6-4-5-24(36)20(26)15-28(40)31(17)38-25)27(39(2)45(3,42)43)16-29(22)44-32(30)19-9-8-18(35)13-23(19)34/h6-12,15-19H,13-14H2,1-5H3,(H,37,42);4-10,13-16H,11-12H2,1-3H3,(H,37,41)
• InChIKey: ARECCRQFPCTQKV-UHFFFAOYSA-N
• XLogP: 13.78
• TPSA: 207.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 13
• Rotatable Bonds: 11
• Heavy Atoms: 91
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1284.84
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide?

The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide (CID 144681531) is 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide.

What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide?

The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2ccc(C(C)C)nc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.CNC(=O)c1c(-c2ccc(F)cc2Cl)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.

What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide?

The InChIKey is ARECCRQFPCTQKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H32FN5O4S.C33H25ClF2N4O4S/c1-19(2)26-11-10-21(18-38-26)34-32(35(42)37-3)24-15-23(29(17-31(24)45-34)40(4)46(5,43)44)27-12-9-20-13-14-41-28-8-6-7-25(36)22(28)16-30(41)33(20)39-27;1-37-33(41)30-22-14-21(25-10-7-17-11-12-40-26-6-4-5-24(36)20(26)15-28(40)31(17)38-25)27(39(2)45(3,42)43)16-29(22)44-32(30)19-9-8-18(35)13-23(19)34/h6-12,15-19H,13-14H2,1-5H3,(H,37,42);4-10,13-16H,11-12H2,1-3H3,(H,37,41).

What are the key properties of 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide?

2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide has a molecular weight of 1284.84 g/mol, XLogP of 13.78, 11 rotatable bonds, 2 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-chloro-4-fluorophenyl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-2-(6-propan-2-yl-3-pyridinyl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 144681531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).