(3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

C26H27N3O4 — CID 92903624

About (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide

(3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (PubChem CID 92903624) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

Molecular Properties

• Compound Name: (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• PubChem CID: 92903624
• Molecular Formula: C26H27N3O4
• Molecular Weight: 445.52 g/mol
• Exact Mass: 445.20
• IUPAC Name: (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide
• SMILES: C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc2c(c1)OCCO2
• InChI: InChI=1S/C26H27N3O4/c1-26(25(31)27-18-7-3-4-8-18)16-28-20-9-5-2-6-17(20)14-21(28)24(30)29(26)19-10-11-22-23(15-19)33-13-12-32-22/h2,5-6,9-11,14-15,18H,3-4,7-8,12-13,16H2,1H3,(H,27,31)/t26-/m1/s1
• InChIKey: PHUQPFGPEGNDJJ-AREMUKBSSA-N
• XLogP: 3.89
• TPSA: 72.80 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.52
LogP ≤ 5	3.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The IUPAC name of (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide (CID 92903624) is (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide.

What is the SMILES notation for (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The canonical SMILES for (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is C[C@]1(C(=O)NC2CCCC2)Cn2c(cc3ccccc32)C(=O)N1c1ccc2c(c1)OCCO2.

What is the InChIKey of (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

The InChIKey is PHUQPFGPEGNDJJ-AREMUKBSSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-26(25(31)27-18-7-3-4-8-18)16-28-20-9-5-2-6-17(20)14-21(28)24(30)29(26)19-10-11-22-23(15-19)33-13-12-32-22/h2,5-6,9-11,14-15,18H,3-4,7-8,12-13,16H2,1H3,(H,27,31)/t26-/m1/s1.

What are the key properties of (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide?

(3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide has a molecular weight of 445.52 g/mol, XLogP of 3.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3R)-N-cyclopentyl-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methyl-1-oxo-4H-pyrazino[1,2-a]indole-3-carboxamide is sourced from PubChem (CID 92903624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).