2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

C24H29BrN4O4 — CID 68561928

About 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one

2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (PubChem CID 68561928) has the molecular formula C24H29BrN4O4 and a molecular weight of 517.42 g/mol. Its IUPAC name is 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

Molecular Properties

• Compound Name: 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
• PubChem CID: 68561928
• Molecular Formula: C24H29BrN4O4
• Molecular Weight: 517.42 g/mol
• Exact Mass: 516.14
• IUPAC Name: 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one
• SMILES: Cc1c(CC2C(=O)Nc3ccc(Br)cc32)[nH]c2c1C(=O)N(CC(O)CN1CCOCC1)CC2
• InChI: InChI=1S/C24H29BrN4O4/c1-14-21(11-18-17-10-15(25)2-3-19(17)27-23(18)31)26-20-4-5-29(24(32)22(14)20)13-16(30)12-28-6-8-33-9-7-28/h2-3,10,16,18,26,30H,4-9,11-13H2,1H3,(H,27,31)
• InChIKey: GQVBJCQCBHCAQX-UHFFFAOYSA-N
• XLogP: 2.06
• TPSA: 97.90 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	517.42
LogP ≤ 5	2.06
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The IUPAC name of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one (CID 68561928) is 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one.

What is the SMILES notation for 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The canonical SMILES for 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is Cc1c(CC2C(=O)Nc3ccc(Br)cc32)[nH]c2c1C(=O)N(CC(O)CN1CCOCC1)CC2.

What is the InChIKey of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

The InChIKey is GQVBJCQCBHCAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN4O4/c1-14-21(11-18-17-10-15(25)2-3-19(17)27-23(18)31)26-20-4-5-29(24(32)22(14)20)13-16(30)12-28-6-8-33-9-7-28/h2-3,10,16,18,26,30H,4-9,11-13H2,1H3,(H,27,31).

What are the key properties of 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one?

2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one has a molecular weight of 517.42 g/mol, XLogP of 2.06, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(5-bromo-2-oxo-1,3-dihydroindol-3-yl)methyl]-5-(2-hydroxy-3-morpholin-4-ylpropyl)-3-methyl-6,7-dihydro-1H-pyrrolo[3,2-c]pyridin-4-one is sourced from PubChem (CID 68561928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).