sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline

C24H22N3Na — CID 23689710

About sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline

sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline (PubChem CID 23689710) has the molecular formula C24H22N3Na and a molecular weight of 375.45 g/mol. Its IUPAC name is sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline.

Molecular Properties

• Compound Name: sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline
• PubChem CID: 23689710
• Molecular Formula: C24H22N3Na
• Molecular Weight: 375.45 g/mol
• Exact Mass: 375.17
• IUPAC Name: sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline
• SMILES: Cc1[n-]c2ccnc(N3CCc4ccccc4C3)c2c1Cc1ccccc1.[Na+]
• InChI: InChI=1S/C24H22N3.Na/c1-17-21(15-18-7-3-2-4-8-18)23-22(26-17)11-13-25-24(23)27-14-12-19-9-5-6-10-20(19)16-27;/h2-11,13H,12,14-16H2,1H3;/q-1;+1
• InChIKey: ZFWQFFFNSKOEFZ-UHFFFAOYSA-N
• XLogP: 1.66
• TPSA: 30.23 Ų
• H-Bond Acceptors: 2
• Rotatable Bonds: 3
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	375.45
LogP ≤ 5	1.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	2

Frequently Asked Questions

What is the IUPAC name of sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline?

The IUPAC name of sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline (CID 23689710) is sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline.

What is the SMILES notation for sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline?

The canonical SMILES for sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline is Cc1[n-]c2ccnc(N3CCc4ccccc4C3)c2c1Cc1ccccc1.[Na+].

What is the InChIKey of sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline?

The InChIKey is ZFWQFFFNSKOEFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N3.Na/c1-17-21(15-18-7-3-2-4-8-18)23-22(26-17)11-13-25-24(23)27-14-12-19-9-5-6-10-20(19)16-27;/h2-11,13H,12,14-16H2,1H3;/q-1;+1.

What are the key properties of sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline?

sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline has a molecular weight of 375.45 g/mol, XLogP of 1.66, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.

Where does this data come from?

All data for sodium 2-(3-benzyl-2-methylpyrrolo[3,2-c]pyridin-1-id-4-yl)-3,4-dihydro-1H-isoquinoline is sourced from PubChem (CID 23689710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).