6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide

C32H26F2N6O3S — CID 118573559

About 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide

6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide (PubChem CID 118573559) has the molecular formula C32H26F2N6O3S and a molecular weight of 612.66 g/mol. Its IUPAC name is 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide.

Molecular Properties

• Compound Name: 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide
• PubChem CID: 118573559
• Molecular Formula: C32H26F2N6O3S
• Molecular Weight: 612.66 g/mol
• Exact Mass: 612.18
• IUPAC Name: 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide
• SMILES: CCS(=O)(=O)Nc1cc2nn(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc2c(n1)-c1cc3c(F)cccc3n1CC2
• InChI: InChI=1S/C32H26F2N6O3S/c1-3-44(42,43)38-27-17-26-23(31(32(41)35-2)40(37-26)20-10-8-19(33)9-11-20)15-22(27)25-12-7-18-13-14-39-28-6-4-5-24(34)21(28)16-29(39)30(18)36-25/h4-12,15-17,38H,3,13-14H2,1-2H3,(H,35,41)
• InChIKey: URNNQHFPHMWGKP-UHFFFAOYSA-N
• XLogP: 5.66
• TPSA: 110.91 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	612.66
LogP ≤ 5	5.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide (CID 118573559) is 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide.

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

The canonical SMILES for 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide is CCS(=O)(=O)Nc1cc2nn(-c3ccc(F)cc3)c(C(=O)NC)c2cc1-c1ccc2c(n1)-c1cc3c(F)cccc3n1CC2.

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

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

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

6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide has a molecular weight of 612.66 g/mol, XLogP of 5.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(ethylsulfonylamino)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-2-(4-fluorophenyl)-N-methylindazole-3-carboxamide is sourced from PubChem (CID 118573559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).