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

C28H28FN3O5 — CID 158860415

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

3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one (PubChem CID 158860415) has the molecular formula C28H28FN3O5 and a molecular weight of 505.55 g/mol. Its IUPAC name is 3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one.

Molecular Properties

• Compound Name: 3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one
• PubChem CID: 158860415
• Molecular Formula: C28H28FN3O5
• Molecular Weight: 505.55 g/mol
• Exact Mass: 505.20
• IUPAC Name: 3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one
• SMILES: COc1nc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)cc2c1CC(=O)C2
• InChI: InChI=1S/C28H28FN3O5/c1-27(30)14-37-25-20(27)13-23(32-24(25)15-4-6-17(29)7-5-15)28(2,35)9-8-22(34)21-11-16-10-18(33)12-19(16)26(31-21)36-3/h4-7,11,13,35H,8-10,12,14,30H2,1-3H3
• InChIKey: YDVOJWAVQRDQKT-UHFFFAOYSA-N
• XLogP: 3.40
• TPSA: 124.63 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	505.55
LogP ≤ 5	3.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one (CID 158860415) is 3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one.

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

The canonical SMILES for 3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one is COc1nc(C(=O)CCC(C)(O)c2cc3c(c(-c4ccc(F)cc4)n2)OCC3(C)N)cc2c1CC(=O)C2.

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

The InChIKey is YDVOJWAVQRDQKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28FN3O5/c1-27(30)14-37-25-20(27)13-23(32-24(25)15-4-6-17(29)7-5-15)28(2,35)9-8-22(34)21-11-16-10-18(33)12-19(16)26(31-21)36-3/h4-7,11,13,35H,8-10,12,14,30H2,1-3H3.

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

3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one has a molecular weight of 505.55 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[3-amino-7-(4-fluorophenyl)-3-methyl-2H-furo[2,3-c]pyridin-5-yl]-4-hydroxypentanoyl]-1-methoxy-5,7-dihydrocyclopenta[c]pyridin-6-one is sourced from PubChem (CID 158860415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).