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

C32H26F2N6O3S — CID 90341040

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

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide (PubChem CID 90341040) has the molecular formula C32H26F2N6O3S and a molecular weight of 612.66 g/mol. Its IUPAC name is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide
• PubChem CID: 90341040
• Molecular Formula: C32H26F2N6O3S
• Molecular Weight: 612.66 g/mol
• Exact Mass: 612.18
• IUPAC Name: 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide
• SMILES: CNC(=O)c1c2cc(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(F)cc1
• InChI: InChI=1S/C32H26F2N6O3S/c1-35-32(41)31-23-15-22(28(38(2)44(3,42)43)17-26(23)37-40(31)20-10-8-19(33)9-11-20)25-12-7-18-13-14-39-27-6-4-5-24(34)21(27)16-29(39)30(18)36-25/h4-12,15-17H,13-14H2,1-3H3,(H,35,41)
• InChIKey: XRWZUEIDPKTWMH-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 102.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.66
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide (CID 90341040) is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide.

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

The canonical SMILES for 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide is CNC(=O)c1c2cc(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)c(N(C)S(C)(=O)=O)cc2nn1-c1ccc(F)cc1.

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

The InChIKey is XRWZUEIDPKTWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F2N6O3S/c1-35-32(41)31-23-15-22(28(38(2)44(3,42)43)17-26(23)37-40(31)20-10-8-19(33)9-11-20)25-12-7-18-13-14-39-27-6-4-5-24(34)21(27)16-29(39)30(18)36-25/h4-12,15-17H,13-14H2,1-3H3,(H,35,41).

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

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide has a molecular weight of 612.66 g/mol, XLogP of 5.30, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methyl-6-[methyl(methylsulfonyl)amino]indazole-3-carboxamide is sourced from PubChem (CID 90341040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).