(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one

C25H21N3O5 — CID 51552216

About (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one

(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one (PubChem CID 51552216) has the molecular formula C25H21N3O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one
• PubChem CID: 51552216
• Molecular Formula: C25H21N3O5
• Molecular Weight: 443.46 g/mol
• Exact Mass: 443.15
• IUPAC Name: (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one
• SMILES: COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccnc3)c2c1
• InChI: InChI=1S/C25H21N3O5/c1-32-17-6-7-19-18(12-17)15(14-27-19)8-10-28-22(16-4-2-9-26-13-16)21(24(30)25(28)31)23(29)20-5-3-11-33-20/h2-7,9,11-14,22,27,30H,8,10H2,1H3/t22-/m0/s1
• InChIKey: DMKJPHYSJSHARN-QFIPXVFZSA-N
• XLogP: 3.99
• TPSA: 108.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	443.46
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one?

The IUPAC name of (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one (CID 51552216) is (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one.

What is the SMILES notation for (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one?

The canonical SMILES for (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one is COc1ccc2[nH]cc(CCN3C(=O)C(O)=C(C(=O)c4ccco4)[C@@H]3c3cccnc3)c2c1.

What is the InChIKey of (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one?

The InChIKey is DMKJPHYSJSHARN-QFIPXVFZSA-N. The full InChI is InChI=1S/C25H21N3O5/c1-32-17-6-7-19-18(12-17)15(14-27-19)8-10-28-22(16-4-2-9-26-13-16)21(24(30)25(28)31)23(29)20-5-3-11-33-20/h2-7,9,11-14,22,27,30H,8,10H2,1H3/t22-/m0/s1.

What are the key properties of (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one?

(2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one has a molecular weight of 443.46 g/mol, XLogP of 3.99, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2S)-3-(furan-2-carbonyl)-4-hydroxy-1-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-pyridin-3-yl-2H-pyrrol-5-one is sourced from PubChem (CID 51552216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).