2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide

C75H67BClF6N7O10S2 — CID 159899553

About 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide

2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide (PubChem CID 159899553) has the molecular formula C75H67BClF6N7O10S2 and a molecular weight of 1450.79 g/mol. Its IUPAC name is 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide.

Molecular Properties

• Compound Name: 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide
• PubChem CID: 159899553
• Molecular Formula: C75H67BClF6N7O10S2
• Molecular Weight: 1450.79 g/mol
• Exact Mass: 1449.41
• IUPAC Name: 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide
• SMILES: CCC(=O)c1c(-c2ccc(C(F)F)cc2)oc2cc(N(C)S(C)(=O)=O)c(B3OC(C)(C)C(C)(C)O3)cc12.CNC(=O)c1c(-c2ccc(C(F)F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.Fc1cccc2c1cc1n2CCc2ccc(Cl)nc2-1
• InChI: InChI=1S/C34H27F3N4O4S.C26H30BF2NO6S.C15H10ClFN2/c1-38-34(42)30-23-15-22(25-12-11-18-13-14-41-26-6-4-5-24(35)21(26)16-28(41)31(18)39-25)27(40(2)46(3,43)44)17-29(23)45-32(30)19-7-9-20(10-8-19)33(36)37;1-8-20(31)22-17-13-18(27-35-25(2,3)26(4,5)36-27)19(30(6)37(7,32)33)14-21(17)34-23(22)15-9-11-16(12-10-15)24(28)29;16-14-5-4-9-6-7-19-12-3-1-2-11(17)10(12)8-13(19)15(9)18-14/h4-12,15-17,33H,13-14H2,1-3H3,(H,38,42);9-14,24H,8H2,1-7H3;1-5,8H,6-7H2
• InChIKey: NVTWRXRSRBPODD-UHFFFAOYSA-N
• XLogP: 16.55
• TPSA: 201.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 14
• Rotatable Bonds: 13
• Heavy Atoms: 102
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1450.79
LogP ≤ 5	16.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide?

The IUPAC name of 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide (CID 159899553) is 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide.

What is the SMILES notation for 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide?

The canonical SMILES for 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide is CCC(=O)c1c(-c2ccc(C(F)F)cc2)oc2cc(N(C)S(C)(=O)=O)c(B3OC(C)(C)C(C)(C)O3)cc12.CNC(=O)c1c(-c2ccc(C(F)F)cc2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.Fc1cccc2c1cc1n2CCc2ccc(Cl)nc2-1.

What is the InChIKey of 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide?

The InChIKey is NVTWRXRSRBPODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H27F3N4O4S.C26H30BF2NO6S.C15H10ClFN2/c1-38-34(42)30-23-15-22(25-12-11-18-13-14-41-26-6-4-5-24(35)21(26)16-28(41)31(18)39-25)27(40(2)46(3,43)44)17-29(23)45-32(30)19-7-9-20(10-8-19)33(36)37;1-8-20(31)22-17-13-18(27-35-25(2,3)26(4,5)36-27)19(30(6)37(7,32)33)14-21(17)34-23(22)15-9-11-16(12-10-15)24(28)29;16-14-5-4-9-6-7-19-12-3-1-2-11(17)10(12)8-13(19)15(9)18-14/h4-12,15-17,33H,13-14H2,1-3H3,(H,38,42);9-14,24H,8H2,1-7H3;1-5,8H,6-7H2.

What are the key properties of 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide?

2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide has a molecular weight of 1450.79 g/mol, XLogP of 16.55, 13 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 2-chloro-11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridine;2-[4-(difluoromethyl)phenyl]-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide;N-[2-[4-(difluoromethyl)phenyl]-3-propanoyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1-benzofuran-6-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 159899553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).