N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide

C25H22F3N3O4 — CID 122603348

About N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 122603348) has the molecular formula C25H22F3N3O4 and a molecular weight of 485.46 g/mol. Its IUPAC name is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
• PubChem CID: 122603348
• Molecular Formula: C25H22F3N3O4
• Molecular Weight: 485.46 g/mol
• Exact Mass: 485.16
• IUPAC Name: N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide
• SMILES: CC(C)c1ccc2c(c1)OC1(O)C3=C(C(=O)C21NC(=O)c1cc(C(F)(F)F)ccn1)C(N)CC=C3
• InChI: InChI=1S/C25H22F3N3O4/c1-12(2)13-6-7-15-19(10-13)35-24(34)16-4-3-5-17(29)20(16)21(32)23(15,24)31-22(33)18-11-14(8-9-30-18)25(26,27)28/h3-4,6-12,17,34H,5,29H2,1-2H3,(H,31,33)
• InChIKey: DIEWFMRJBTYTFS-UHFFFAOYSA-N
• XLogP: 3.10
• TPSA: 114.54 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.46
LogP ≤ 5	3.10
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide?

The IUPAC name of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide (CID 122603348) is N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide.

What is the SMILES notation for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide?

The canonical SMILES for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide is CC(C)c1ccc2c(c1)OC1(O)C3=C(C(=O)C21NC(=O)c1cc(C(F)(F)F)ccn1)C(N)CC=C3.

What is the InChIKey of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide?

The InChIKey is DIEWFMRJBTYTFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O4/c1-12(2)13-6-7-15-19(10-13)35-24(34)16-4-3-5-17(29)20(16)21(32)23(15,24)31-22(33)18-11-14(8-9-30-18)25(26,27)28/h3-4,6-12,17,34H,5,29H2,1-2H3,(H,31,33).

What are the key properties of N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide?

N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 485.46 g/mol, XLogP of 3.10, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-amino-4b-hydroxy-10-oxo-7-propan-2-yl-1,2-dihydroindeno[1,2-b][1]benzofuran-9b-yl)-4-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 122603348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).