2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone

C24H25N7O — CID 122349364

About 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone (PubChem CID 122349364) has the molecular formula C24H25N7O and a molecular weight of 427.51 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone.

Molecular Properties

• Compound Name: 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
• PubChem CID: 122349364
• Molecular Formula: C24H25N7O
• Molecular Weight: 427.51 g/mol
• Exact Mass: 427.21
• IUPAC Name: 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone
• SMILES: Cc1ccnc(Nc2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)ncn2)c1
• InChI: InChI=1S/C24H25N7O/c1-17-6-7-25-21(12-17)29-22-14-23(28-16-27-22)30-8-10-31(11-9-30)24(32)13-18-15-26-20-5-3-2-4-19(18)20/h2-7,12,14-16,26H,8-11,13H2,1H3,(H,25,27,28,29)
• InChIKey: UQAUZDMMHXAYNI-UHFFFAOYSA-N
• XLogP: 3.30
• TPSA: 90.04 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	427.51
LogP ≤ 5	3.30
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The IUPAC name of 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone (CID 122349364) is 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone.

What is the SMILES notation for 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The canonical SMILES for 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone is Cc1ccnc(Nc2cc(N3CCN(C(=O)Cc4c[nH]c5ccccc45)CC3)ncn2)c1.

What is the InChIKey of 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone?

The InChIKey is UQAUZDMMHXAYNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N7O/c1-17-6-7-25-21(12-17)29-22-14-23(28-16-27-22)30-8-10-31(11-9-30)24(32)13-18-15-26-20-5-3-2-4-19(18)20/h2-7,12,14-16,26H,8-11,13H2,1H3,(H,25,27,28,29).

What are the key properties of 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone?

2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone has a molecular weight of 427.51 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(1H-indol-3-yl)-1-[4-[6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 122349364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).