5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide

C30H24FN5O3 — CID 144681504

About 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide (PubChem CID 144681504) has the molecular formula C30H24FN5O3 and a molecular weight of 521.55 g/mol. Its IUPAC name is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide.

Molecular Properties

• Compound Name: 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide
• PubChem CID: 144681504
• Molecular Formula: C30H24FN5O3
• Molecular Weight: 521.55 g/mol
• Exact Mass: 521.19
• IUPAC Name: 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide
• SMILES: CNC(=O)c1c(-c2nocc2C)oc2cc(NC)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12
• InChI: InChI=1S/C30H24FN5O3/c1-15-14-38-35-27(15)29-26(30(37)33-3)19-11-18(22(32-2)13-25(19)39-29)21-8-7-16-9-10-36-23-6-4-5-20(31)17(23)12-24(36)28(16)34-21/h4-8,11-14,32H,9-10H2,1-3H3,(H,33,37)
• InChIKey: UDZHBTFLWROWBJ-UHFFFAOYSA-N
• XLogP: 6.18
• TPSA: 98.12 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.55
LogP ≤ 5	6.18
H-Bond Donors ≤ 5	2
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)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide?

The IUPAC name of 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide (CID 144681504) is 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide.

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

The canonical SMILES for 5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide is CNC(=O)c1c(-c2nocc2C)oc2cc(NC)c(-c3ccc4c(n3)-c3cc5c(F)cccc5n3CC4)cc12.

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

The InChIKey is UDZHBTFLWROWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24FN5O3/c1-15-14-38-35-27(15)29-26(30(37)33-3)19-11-18(22(32-2)13-25(19)39-29)21-8-7-16-9-10-36-23-6-4-5-20(31)17(23)12-24(36)28(16)34-21/h4-8,11-14,32H,9-10H2,1-3H3,(H,33,37).

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

5-(11-fluoro-5,6-dihydroindolo[1,2-h][1,7]naphthyridin-2-yl)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide has a molecular weight of 521.55 g/mol, XLogP of 6.18, 4 rotatable bonds, 2 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)-N-methyl-6-(methylamino)-2-(4-methyl-1,2-oxazol-3-yl)-1-benzofuran-3-carboxamide is sourced from PubChem (CID 144681504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).