6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one

C30H26F4N2O5 — CID 147018932

About 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one

6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one (PubChem CID 147018932) has the molecular formula C30H26F4N2O5 and a molecular weight of 570.54 g/mol. Its IUPAC name is 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one.

Molecular Properties

• Compound Name: 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one
• PubChem CID: 147018932
• Molecular Formula: C30H26F4N2O5
• Molecular Weight: 570.54 g/mol
• Exact Mass: 570.18
• IUPAC Name: 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one
• SMILES: COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)cc2c1CC(=O)C=C2
• InChI: InChI=1S/C30H26F4N2O5/c1-28(35)15-41-27-22(28)14-25(36-26(27)16-3-6-19(31)7-4-16)29(39,30(32,33)34)10-9-23(38)18-11-17-5-8-20(37)13-21(17)24(12-18)40-2/h3-8,11-12,14,39H,9-10,13,15,35H2,1-2H3
• InChIKey: AVHZLTZXZOYZQH-UHFFFAOYSA-N
• XLogP: 5.01
• TPSA: 111.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.54
LogP ≤ 5	5.01
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one?

The IUPAC name of 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one (CID 147018932) is 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one.

What is the SMILES notation for 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one?

The canonical SMILES for 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one is COc1cc(C(=O)CCC(O)(c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)C(F)(F)F)cc2c1CC(=O)C=C2.

What is the InChIKey of 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one?

The InChIKey is AVHZLTZXZOYZQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26F4N2O5/c1-28(35)15-41-27-22(28)14-25(36-26(27)16-3-6-19(31)7-4-16)29(39,30(32,33)34)10-9-23(38)18-11-17-5-8-20(37)13-21(17)24(12-18)40-2/h3-8,11-12,14,39H,9-10,13,15,35H2,1-2H3.

What are the key properties of 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one?

6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one has a molecular weight of 570.54 g/mol, XLogP of 5.01, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-5,5,5-trifluoro-4-hydroxypentanoyl]-8-methoxy-1H-naphthalen-2-one is sourced from PubChem (CID 147018932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).