2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone

C30H26N4O2S — CID 46288215

About 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone

2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone (PubChem CID 46288215) has the molecular formula C30H26N4O2S and a molecular weight of 506.63 g/mol. Its IUPAC name is 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone.

Molecular Properties

• Compound Name: 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone
• PubChem CID: 46288215
• Molecular Formula: C30H26N4O2S
• Molecular Weight: 506.63 g/mol
• Exact Mass: 506.18
• IUPAC Name: 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone
• SMILES: COc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1
• InChI: InChI=1S/C30H26N4O2S/c1-36-25-12-8-22(9-13-25)20-37-30-32-26-14-16-31-18-28(26)34(30)19-21-6-10-24(11-7-21)29(35)33-17-15-23-4-2-3-5-27(23)33/h2-14,16,18H,15,17,19-20H2,1H3
• InChIKey: IEOTTWIXKGGRNB-UHFFFAOYSA-N
• XLogP: 5.98
• TPSA: 60.25 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	506.63
LogP ≤ 5	5.98
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone?

The IUPAC name of 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone (CID 46288215) is 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone.

What is the SMILES notation for 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone?

The canonical SMILES for 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone is COc1ccc(CSc2nc3ccncc3n2Cc2ccc(C(=O)N3CCc4ccccc43)cc2)cc1.

What is the InChIKey of 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone?

The InChIKey is IEOTTWIXKGGRNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2S/c1-36-25-12-8-22(9-13-25)20-37-30-32-26-14-16-31-18-28(26)34(30)19-21-6-10-24(11-7-21)29(35)33-17-15-23-4-2-3-5-27(23)33/h2-14,16,18H,15,17,19-20H2,1H3.

What are the key properties of 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone?

2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone has a molecular weight of 506.63 g/mol, XLogP of 5.98, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2,3-dihydroindol-1-yl-[4-[[2-[(4-methoxyphenyl)methylsulfanyl]imidazo[4,5-c]pyridin-3-yl]methyl]phenyl]methanone is sourced from PubChem (CID 46288215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).