2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one

C17H15BrN4OS — CID 42885304

About 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one (PubChem CID 42885304) has the molecular formula C17H15BrN4OS and a molecular weight of 403.31 g/mol. Its IUPAC name is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one.

Molecular Properties

• Compound Name: 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
• PubChem CID: 42885304
• Molecular Formula: C17H15BrN4OS
• Molecular Weight: 403.31 g/mol
• Exact Mass: 402.01
• IUPAC Name: 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one
• SMILES: CC(Sc1nc2ncc(Br)cc2[nH]1)C(=O)N1CCc2ccccc21
• InChI: InChI=1S/C17H15BrN4OS/c1-10(16(23)22-7-6-11-4-2-3-5-14(11)22)24-17-20-13-8-12(18)9-19-15(13)21-17/h2-5,8-10H,6-7H2,1H3,(H,19,20,21)
• InChIKey: FXZDKRFMYUDWDS-UHFFFAOYSA-N
• XLogP: 3.79
• TPSA: 61.88 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.31
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one?

The IUPAC name of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one (CID 42885304) is 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one.

What is the SMILES notation for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one?

The canonical SMILES for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one is CC(Sc1nc2ncc(Br)cc2[nH]1)C(=O)N1CCc2ccccc21.

What is the InChIKey of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one?

The InChIKey is FXZDKRFMYUDWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrN4OS/c1-10(16(23)22-7-6-11-4-2-3-5-14(11)22)24-17-20-13-8-12(18)9-19-15(13)21-17/h2-5,8-10H,6-7H2,1H3,(H,19,20,21).

What are the key properties of 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one?

2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one has a molecular weight of 403.31 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)sulfanyl]-1-(2,3-dihydroindol-1-yl)propan-1-one is sourced from PubChem (CID 42885304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).