4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

C23H17N3O3S — CID 108604336

About 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one

4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (PubChem CID 108604336) has the molecular formula C23H17N3O3S and a molecular weight of 415.47 g/mol. Its IUPAC name is 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

Molecular Properties

• Compound Name: 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• PubChem CID: 108604336
• Molecular Formula: C23H17N3O3S
• Molecular Weight: 415.47 g/mol
• Exact Mass: 415.10
• IUPAC Name: 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one
• SMILES: O=C(C1=C(O)C(=O)N(Cc2ccncc2)C1c1c[nH]c2ccccc12)c1cccs1
• InChI: InChI=1S/C23H17N3O3S/c27-21(18-6-3-11-30-18)19-20(16-12-25-17-5-2-1-4-15(16)17)26(23(29)22(19)28)13-14-7-9-24-10-8-14/h1-12,20,25,28H,13H2
• InChIKey: HAPBZKWNEPHUSI-UHFFFAOYSA-N
• XLogP: 4.40
• TPSA: 86.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	415.47
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The IUPAC name of 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one (CID 108604336) is 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one.

What is the SMILES notation for 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The canonical SMILES for 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is O=C(C1=C(O)C(=O)N(Cc2ccncc2)C1c1c[nH]c2ccccc12)c1cccs1.

What is the InChIKey of 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

The InChIKey is HAPBZKWNEPHUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3S/c27-21(18-6-3-11-30-18)19-20(16-12-25-17-5-2-1-4-15(16)17)26(23(29)22(19)28)13-14-7-9-24-10-8-14/h1-12,20,25,28H,13H2.

What are the key properties of 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one?

4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one has a molecular weight of 415.47 g/mol, XLogP of 4.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-hydroxy-2-(1H-indol-3-yl)-1-(pyridin-4-ylmethyl)-3-(thiophene-2-carbonyl)-2H-pyrrol-5-one is sourced from PubChem (CID 108604336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).