1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone

C18H19ClN4O2 — CID 170609963

IUPAC1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(C)c(Cl)c32)C1
InChIInChI=1S/C18H19ClN4O2/c1-11-3-4-13-16(12-7-20-21-8-12)14-9-22(15(24)10-25-2)5-6-23(14)18(13)17(11)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,21)
InChIKeyFOMLOUSOEAFZBX-UHFFFAOYSA-N
MW358.83 g/mol
LogP2.98
Rot. Bonds3

About 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone

1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone (PubChem CID 170609963) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone.

Molecular Properties

Compound Name1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
PubChem CID170609963
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone
SMILESCOCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(C)c(Cl)c32)C1
InChIInChI=1S/C18H19ClN4O2/c1-11-3-4-13-16(12-7-20-21-8-12)14-9-22(15(24)10-25-2)5-6-23(14)18(13)17(11)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,21)
InChIKeyFOMLOUSOEAFZBX-UHFFFAOYSA-N
XLogP2.98
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone 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 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone?
The IUPAC name of 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone (CID 170609963) is 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone.
What is the SMILES notation for 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone?
The canonical SMILES for 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone is COCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(C)c(Cl)c32)C1.
What is the InChIKey of 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone?
The InChIKey is FOMLOUSOEAFZBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c1-11-3-4-13-16(12-7-20-21-8-12)14-9-22(15(24)10-25-2)5-6-23(14)18(13)17(11)19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,20,21).
What are the key properties of 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone?
1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone has a molecular weight of 358.83 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-chloro-7-methyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-methoxyethanone is sourced from PubChem (CID 170609963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).