5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile

C24H25N7 — CID 171351973

About 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile

5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile (PubChem CID 171351973) has the molecular formula C24H25N7 and a molecular weight of 411.51 g/mol. Its IUPAC name is 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile.

Molecular Properties

• Compound Name: 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
• PubChem CID: 171351973
• Molecular Formula: C24H25N7
• Molecular Weight: 411.51 g/mol
• Exact Mass: 411.22
• IUPAC Name: 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile
• SMILES: N#Cc1cn(C2CC2)c2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)ncnc12
• InChI: InChI=1S/C24H25N7/c25-13-18-15-31(19-5-6-19)23-22(18)27-16-28-24(23)30-11-9-29(10-12-30)8-7-17-14-26-21-4-2-1-3-20(17)21/h1-4,14-16,19,26H,5-12H2
• InChIKey: PHGFMAYCTYWBIS-UHFFFAOYSA-N
• XLogP: 3.48
• TPSA: 76.77 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.51
LogP ≤ 5	3.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile?

The IUPAC name of 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile (CID 171351973) is 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile.

What is the SMILES notation for 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile?

The canonical SMILES for 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile is N#Cc1cn(C2CC2)c2c(N3CCN(CCc4c[nH]c5ccccc45)CC3)ncnc12.

What is the InChIKey of 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile?

The InChIKey is PHGFMAYCTYWBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7/c25-13-18-15-31(19-5-6-19)23-22(18)27-16-28-24(23)30-11-9-29(10-12-30)8-7-17-14-26-21-4-2-1-3-20(17)21/h1-4,14-16,19,26H,5-12H2.

What are the key properties of 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile?

5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile has a molecular weight of 411.51 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-cyclopropyl-4-[4-[2-(1H-indol-3-yl)ethyl]piperazin-1-yl]pyrrolo[3,2-d]pyrimidine-7-carbonitrile is sourced from PubChem (CID 171351973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).