2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile

C17H13Cl2N5O2 — CID 170427260

IUPAC2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile
SMILESCN1CCn2c(c(-c3cn[nH]c3)c3c(OCC#N)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C17H13Cl2N5O2/c1-23-3-4-24-15-13(11(26-5-2-20)6-10(18)14(15)19)12(16(24)17(23)25)9-7-21-22-8-9/h6-8H,3-5H2,1H3,(H,21,22)
InChIKeyPWYJALMUVFHRMB-UHFFFAOYSA-N
MW390.23 g/mol
LogP3.33
Rot. Bonds3

About 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile

2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile (PubChem CID 170427260) has the molecular formula C17H13Cl2N5O2 and a molecular weight of 390.23 g/mol. Its IUPAC name is 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile.

Molecular Properties

Compound Name2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile
PubChem CID170427260
Molecular FormulaC17H13Cl2N5O2
Molecular Weight390.23 g/mol
Exact Mass389.04
IUPAC Name2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile
SMILESCN1CCn2c(c(-c3cn[nH]c3)c3c(OCC#N)cc(Cl)c(Cl)c32)C1=O
InChIInChI=1S/C17H13Cl2N5O2/c1-23-3-4-24-15-13(11(26-5-2-20)6-10(18)14(15)19)12(16(24)17(23)25)9-7-21-22-8-9/h6-8H,3-5H2,1H3,(H,21,22)
InChIKeyPWYJALMUVFHRMB-UHFFFAOYSA-N
XLogP3.33
TPSA86.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.23
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile with MolForge

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Related Compounds

US20230391786, Example 113
CID 170426668
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CID 170426677
US20230391786, Example 288
CID 170426842
US20230391786, Example 142
CID 170426862
US20230391786, Example 280
CID 170426871
US20230391786, Example 88
CID 170426894
US20230391786, Example 283
CID 170426915
US20230391786, Example 89
CID 170426933
US20230391786, Example 290
CID 170426991
US20230391786, Example 153
CID 170426998
US20230391786, Example 232
CID 170427005
US20230391786, Example 59
CID 170427040

Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile?
The IUPAC name of 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile (CID 170427260) is 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile.
What is the SMILES notation for 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile?
The canonical SMILES for 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile is CN1CCn2c(c(-c3cn[nH]c3)c3c(OCC#N)cc(Cl)c(Cl)c32)C1=O.
What is the InChIKey of 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile?
The InChIKey is PWYJALMUVFHRMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N5O2/c1-23-3-4-24-15-13(11(26-5-2-20)6-10(18)14(15)19)12(16(24)17(23)25)9-7-21-22-8-9/h6-8H,3-5H2,1H3,(H,21,22).
What are the key properties of 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile?
2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile has a molecular weight of 390.23 g/mol, XLogP of 3.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,7-dichloro-2-methyl-1-oxo-10-(1H-pyrazol-4-yl)-3,4-dihydropyrazino[1,2-a]indol-9-yl]oxy]acetonitrile is sourced from PubChem (CID 170427260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).