1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone

C23H23N5O4 — CID 86729099

About 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone

1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone (PubChem CID 86729099) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone.

Molecular Properties

• Compound Name: 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone
• PubChem CID: 86729099
• Molecular Formula: C23H23N5O4
• Molecular Weight: 433.47 g/mol
• Exact Mass: 433.18
• IUPAC Name: 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone
• SMILES: COc1cncc(NC(C(=O)c2c[nH]c3c(CCO)cccc23)c2cnc(OC)cn2)c1
• InChI: InChI=1S/C23H23N5O4/c1-31-16-8-15(9-24-10-16)28-22(19-12-26-20(32-2)13-25-19)23(30)18-11-27-21-14(6-7-29)4-3-5-17(18)21/h3-5,8-13,22,27-29H,6-7H2,1-2H3
• InChIKey: RJFZMMYWUAWPNP-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 122.25 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.47
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone?

The IUPAC name of 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone (CID 86729099) is 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone.

What is the SMILES notation for 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone?

The canonical SMILES for 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone is COc1cncc(NC(C(=O)c2c[nH]c3c(CCO)cccc23)c2cnc(OC)cn2)c1.

What is the InChIKey of 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone?

The InChIKey is RJFZMMYWUAWPNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-31-16-8-15(9-24-10-16)28-22(19-12-26-20(32-2)13-25-19)23(30)18-11-27-21-14(6-7-29)4-3-5-17(18)21/h3-5,8-13,22,27-29H,6-7H2,1-2H3.

What are the key properties of 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone?

1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone has a molecular weight of 433.47 g/mol, XLogP of 2.94, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[7-(2-hydroxyethyl)-1H-indol-3-yl]-2-(5-methoxypyrazin-2-yl)-2-[(5-methoxy-3-pyridinyl)amino]ethanone is sourced from PubChem (CID 86729099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).