5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one

C55H60Br2N12O3 — CID 158797016

About 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one

5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one (PubChem CID 158797016) has the molecular formula C55H60Br2N12O3 and a molecular weight of 1096.97 g/mol. Its IUPAC name is 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one.

Molecular Properties

• Compound Name: 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one
• PubChem CID: 158797016
• Molecular Formula: C55H60Br2N12O3
• Molecular Weight: 1096.97 g/mol
• Exact Mass: 1094.33
• IUPAC Name: 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one
• SMILES: Brc1cnc2[nH]ccc2c1.CCCC1CC(=O)N(Cc2cnc3[nH]ccc3c2)C1.CCCC1CC(=O)N(Cc2cnc3c(ccn3C)c2)C1.Cn1ccc2cc(Br)cnc21.Cn1ccc2cc(C=O)cnc21
• InChI: InChI=1S/C16H21N3O.C15H19N3O.C9H8N2O.C8H7BrN2.C7H5BrN2/c1-3-4-12-8-15(20)19(10-12)11-13-7-14-5-6-18(2)16(14)17-9-13;1-2-3-11-7-14(19)18(9-11)10-12-6-13-4-5-16-15(13)17-8-12;1-11-3-2-8-4-7(6-12)5-10-9(8)11;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6/h5-7,9,12H,3-4,8,10-11H2,1-2H3;4-6,8,11H,2-3,7,9-10H2,1H3,(H,16,17);2-6H,1H3;2-5H,1H3;1-4H,(H,9,10)
• InChIKey: ISZHTWRBPBWIJQ-UHFFFAOYSA-N
• XLogP: 11.48
• TPSA: 168.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1096.97
LogP ≤ 5	11.48
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one?

The IUPAC name of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one (CID 158797016) is 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one.

What is the SMILES notation for 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one?

The canonical SMILES for 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one is Brc1cnc2[nH]ccc2c1.CCCC1CC(=O)N(Cc2cnc3[nH]ccc3c2)C1.CCCC1CC(=O)N(Cc2cnc3c(ccn3C)c2)C1.Cn1ccc2cc(Br)cnc21.Cn1ccc2cc(C=O)cnc21.

What is the InChIKey of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one?

The InChIKey is ISZHTWRBPBWIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O.C15H19N3O.C9H8N2O.C8H7BrN2.C7H5BrN2/c1-3-4-12-8-15(20)19(10-12)11-13-7-14-5-6-18(2)16(14)17-9-13;1-2-3-11-7-14(19)18(9-11)10-12-6-13-4-5-16-15(13)17-8-12;1-11-3-2-8-4-7(6-12)5-10-9(8)11;1-11-3-2-6-4-7(9)5-10-8(6)11;8-6-3-5-1-2-9-7(5)10-4-6/h5-7,9,12H,3-4,8,10-11H2,1-2H3;4-6,8,11H,2-3,7,9-10H2,1H3,(H,16,17);2-6H,1H3;2-5H,1H3;1-4H,(H,9,10).

What are the key properties of 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one?

5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one has a molecular weight of 1096.97 g/mol, XLogP of 11.48, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-1-methylpyrrolo[2,3-b]pyridine;5-bromo-1H-pyrrolo[2,3-b]pyridine;1-methylpyrrolo[2,3-b]pyridine-5-carbaldehyde;1-[(1-methylpyrrolo[2,3-b]pyridin-5-yl)methyl]-4-propylpyrrolidin-2-one;4-propyl-1-(1H-pyrrolo[2,3-b]pyridin-5-ylmethyl)pyrrolidin-2-one is sourced from PubChem (CID 158797016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).