2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

C34H32FN5O4S2 — CID 118583347

About 2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide

2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (PubChem CID 118583347) has the molecular formula C34H32FN5O4S2 and a molecular weight of 657.79 g/mol. Its IUPAC name is 2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• PubChem CID: 118583347
• Molecular Formula: C34H32FN5O4S2
• Molecular Weight: 657.79 g/mol
• Exact Mass: 657.19
• IUPAC Name: 2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2cnc(C(C)(C)C)s2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
• InChI: InChI=1S/C34H32FN5O4S2/c1-34(2,3)33-37-17-28(45-33)31-29(32(41)36-4)21-14-20(25(16-27(21)44-31)39(5)46(6,42)43)23-11-10-18-12-13-40-24-9-7-8-22(35)19(24)15-26(40)30(18)38-23/h7-11,14-17H,12-13H2,1-6H3,(H,36,41)
• InChIKey: CMGWMMTVACPQTP-UHFFFAOYSA-N
• XLogP: 6.99
• TPSA: 110.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	657.79
LogP ≤ 5	6.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide (CID 118583347) is 2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2cnc(C(C)(C)C)s2)oc2cc(N(C)S(C)(=O)=O)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.

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

The InChIKey is CMGWMMTVACPQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H32FN5O4S2/c1-34(2,3)33-37-17-28(45-33)31-29(32(41)36-4)21-14-20(25(16-27(21)44-31)39(5)46(6,42)43)23-11-10-18-12-13-40-24-9-7-8-22(35)19(24)15-26(40)30(18)38-23/h7-11,14-17H,12-13H2,1-6H3,(H,36,41).

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

2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide has a molecular weight of 657.79 g/mol, XLogP of 6.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(2-tert-butyl-1,3-thiazol-5-yl)-5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-[methyl(methylsulfonyl)amino]-1-benzofuran-3-carboxamide is sourced from PubChem (CID 118583347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).