1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone

C23H25N5O — CID 20784415

About 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone

1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone (PubChem CID 20784415) has the molecular formula C23H25N5O and a molecular weight of 387.49 g/mol. Its IUPAC name is 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone.

Molecular Properties

• Compound Name: 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone
• PubChem CID: 20784415
• Molecular Formula: C23H25N5O
• Molecular Weight: 387.49 g/mol
• Exact Mass: 387.21
• IUPAC Name: 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone
• SMILES: Cc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)N1CCN(C)CC1
• InChI: InChI=1S/C23H25N5O/c1-16-5-6-21-18(12-16)19(20-13-17-4-3-7-24-23(17)25-20)14-28(21)15-22(29)27-10-8-26(2)9-11-27/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,25)
• InChIKey: SMDDGOSNBROKKH-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 57.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	387.49
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone?

The IUPAC name of 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone (CID 20784415) is 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone.

What is the SMILES notation for 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone?

The canonical SMILES for 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone is Cc1ccc2c(c1)c(-c1cc3cccnc3[nH]1)cn2CC(=O)N1CCN(C)CC1.

What is the InChIKey of 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone?

The InChIKey is SMDDGOSNBROKKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O/c1-16-5-6-21-18(12-16)19(20-13-17-4-3-7-24-23(17)25-20)14-28(21)15-22(29)27-10-8-26(2)9-11-27/h3-7,12-14H,8-11,15H2,1-2H3,(H,24,25).

What are the key properties of 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone?

1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone has a molecular weight of 387.49 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(4-methylpiperazin-1-yl)-2-[5-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-1-yl]ethanone is sourced from PubChem (CID 20784415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).