[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone

C24H25N5O3 — CID 56565062

About [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone

[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone (PubChem CID 56565062) has the molecular formula C24H25N5O3 and a molecular weight of 431.50 g/mol. Its IUPAC name is [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone
• PubChem CID: 56565062
• Molecular Formula: C24H25N5O3
• Molecular Weight: 431.50 g/mol
• Exact Mass: 431.20
• IUPAC Name: [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone
• SMILES: CC1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(C(=O)c2cnccn2)CC1
• InChI: InChI=1S/C24H25N5O3/c1-17-14-18-4-2-3-5-21(18)29(17)16-22-19(6-13-32-22)23(30)27-9-11-28(12-10-27)24(31)20-15-25-7-8-26-20/h2-8,13,15,17H,9-12,14,16H2,1H3
• InChIKey: RXWIJGKXSWZYNS-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 82.78 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.50
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone?

The IUPAC name of [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone (CID 56565062) is [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone.

What is the SMILES notation for [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone?

The canonical SMILES for [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone is CC1Cc2ccccc2N1Cc1occc1C(=O)N1CCN(C(=O)c2cnccn2)CC1.

What is the InChIKey of [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone?

The InChIKey is RXWIJGKXSWZYNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3/c1-17-14-18-4-2-3-5-21(18)29(17)16-22-19(6-13-32-22)23(30)27-9-11-28(12-10-27)24(31)20-15-25-7-8-26-20/h2-8,13,15,17H,9-12,14,16H2,1H3.

What are the key properties of [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone?

[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone has a molecular weight of 431.50 g/mol, XLogP of 2.62, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for [2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-[4-(pyrazine-2-carbonyl)piperazin-1-yl]methanone is sourced from PubChem (CID 56565062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).