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

C30H31FN2O5 — CID 162049436

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

6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one (PubChem CID 162049436) has the molecular formula C30H31FN2O5 and a molecular weight of 518.59 g/mol. Its IUPAC name is 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-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]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one
• PubChem CID: 162049436
• Molecular Formula: C30H31FN2O5
• Molecular Weight: 518.59 g/mol
• Exact Mass: 518.22
• IUPAC Name: 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one
• SMILES: COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)cc2c1CC(=O)CC2
• InChI: InChI=1S/C30H31FN2O5/c1-29(32)16-38-28-23(29)15-26(33-27(28)17-4-7-20(31)8-5-17)30(2,36)11-10-24(35)19-12-18-6-9-21(34)14-22(18)25(13-19)37-3/h4-5,7-8,12-13,15,36H,6,9-11,14,16,32H2,1-3H3
• InChIKey: MNSSQRSIPJYYKX-UHFFFAOYSA-N
• XLogP: 4.39
• TPSA: 111.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	518.59
LogP ≤ 5	4.39
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]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-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]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one (CID 162049436) is 6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-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]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-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]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one is COc1cc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)cc2c1CC(=O)CC2.

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

The InChIKey is MNSSQRSIPJYYKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN2O5/c1-29(32)16-38-28-23(29)15-26(33-27(28)17-4-7-20(31)8-5-17)30(2,36)11-10-24(35)19-12-18-6-9-21(34)14-22(18)25(13-19)37-3/h4-5,7-8,12-13,15,36H,6,9-11,14,16,32H2,1-3H3.

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

6-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one has a molecular weight of 518.59 g/mol, XLogP of 4.39, 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]-4-hydroxypentanoyl]-8-methoxy-3,4-dihydro-1H-naphthalen-2-one is sourced from PubChem (CID 162049436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).