9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

C17H17Cl2N5O2 — CID 170427633

IUPAC9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCOCCN1CCn2c(c(-c3cn[nH]c3)c3c(N)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C17H17Cl2N5O2/c1-26-5-4-23-2-3-24-15-13(11(20)6-10(18)14(15)19)12(16(24)17(23)25)9-7-21-22-8-9/h6-8H,2-5,20H2,1H3,(H,21,22)
InChIKeyJQECKFSTTYZHOM-UHFFFAOYSA-N
MW394.26 g/mol
LogP3.02
Rot. Bonds4

About 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one

9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (PubChem CID 170427633) has the molecular formula C17H17Cl2N5O2 and a molecular weight of 394.26 g/mol. Its IUPAC name is 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.

Molecular Properties

Compound Name9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
PubChem CID170427633
Molecular FormulaC17H17Cl2N5O2
Molecular Weight394.26 g/mol
Exact Mass393.08
IUPAC Name9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one
SMILESCOCCN1CCn2c(c(-c3cn[nH]c3)c3c(N)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C17H17Cl2N5O2/c1-26-5-4-23-2-3-24-15-13(11(20)6-10(18)14(15)19)12(16(24)17(23)25)9-7-21-22-8-9/h6-8H,2-5,20H2,1H3,(H,21,22)
InChIKeyJQECKFSTTYZHOM-UHFFFAOYSA-N
XLogP3.02
TPSA89.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.26
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The IUPAC name of 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one (CID 170427633) is 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one.
What is the SMILES notation for 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The canonical SMILES for 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is COCCN1CCn2c(c(-c3cn[nH]c3)c3c(N)cc(Cl)c(Cl)c32)C1=O.
What is the InChIKey of 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
The InChIKey is JQECKFSTTYZHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5O2/c1-26-5-4-23-2-3-24-15-13(11(20)6-10(18)14(15)19)12(16(24)17(23)25)9-7-21-22-8-9/h6-8H,2-5,20H2,1H3,(H,21,22).
What are the key properties of 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one?
9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one has a molecular weight of 394.26 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-amino-6,7-dichloro-2-(2-methoxyethyl)-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-1-one is sourced from PubChem (CID 170427633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).