[2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

C30H30BrN5O — CID 139491983

About [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone

[2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (PubChem CID 139491983) has the molecular formula C30H30BrN5O and a molecular weight of 556.51 g/mol. Its IUPAC name is [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

Molecular Properties

• Compound Name: [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
• PubChem CID: 139491983
• Molecular Formula: C30H30BrN5O
• Molecular Weight: 556.51 g/mol
• Exact Mass: 555.16
• IUPAC Name: [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
• SMILES: O=C(N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1)N1CCCc2ccccc21
• InChI: InChI=1S/C30H30BrN5O/c31-25-12-10-22(11-13-25)29-27(35-14-4-3-9-28(35)32-29)20-33-16-23-18-34(19-24(23)17-33)30(37)36-15-5-7-21-6-1-2-8-26(21)36/h1-4,6,8-14,23-24H,5,7,15-20H2
• InChIKey: NBOBFUAEOZJIRQ-UHFFFAOYSA-N
• XLogP: 5.70
• TPSA: 44.09 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.51
LogP ≤ 5	5.70
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?

The IUPAC name of [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone (CID 139491983) is [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone.

What is the SMILES notation for [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?

The canonical SMILES for [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is O=C(N1CC2CN(Cc3c(-c4ccc(Br)cc4)nc4ccccn34)CC2C1)N1CCCc2ccccc21.

What is the InChIKey of [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?

The InChIKey is NBOBFUAEOZJIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30BrN5O/c31-25-12-10-22(11-13-25)29-27(35-14-4-3-9-28(35)32-29)20-33-16-23-18-34(19-24(23)17-33)30(37)36-15-5-7-21-6-1-2-8-26(21)36/h1-4,6,8-14,23-24H,5,7,15-20H2.

What are the key properties of [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone?

[2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone has a molecular weight of 556.51 g/mol, XLogP of 5.70, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methyl]-1,3,3a,4,6,6a-hexahydropyrrolo[3,4-c]pyrrol-5-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone is sourced from PubChem (CID 139491983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).