2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide

C18H17Cl2N5O4 — CID 170427248

IUPAC2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide
SMILESNC(=O)COc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCN(C(=O)CO)C1
InChIInChI=1S/C18H17Cl2N5O4/c19-10-3-12(29-8-13(21)27)16-15(9-4-22-23-5-9)11-6-24(14(28)7-26)1-2-25(11)18(16)17(10)20/h3-5,26H,1-2,6-8H2,(H2,21,27)(H,22,23)
InChIKeyWIBJPZKAAGSREQ-UHFFFAOYSA-N
MW438.27 g/mol
LogP1.54
Rot. Bonds5

About 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide

2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide (PubChem CID 170427248) has the molecular formula C18H17Cl2N5O4 and a molecular weight of 438.27 g/mol. Its IUPAC name is 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide
PubChem CID170427248
Molecular FormulaC18H17Cl2N5O4
Molecular Weight438.27 g/mol
Exact Mass437.07
IUPAC Name2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide
SMILESNC(=O)COc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCN(C(=O)CO)C1
InChIInChI=1S/C18H17Cl2N5O4/c19-10-3-12(29-8-13(21)27)16-15(9-4-22-23-5-9)11-6-24(14(28)7-26)1-2-25(11)18(16)17(10)20/h3-5,26H,1-2,6-8H2,(H2,21,27)(H,22,23)
InChIKeyWIBJPZKAAGSREQ-UHFFFAOYSA-N
XLogP1.54
TPSA126.47 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.27
LogP ≤ 51.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide with MolForge

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

Launch Full Analysis

Related Compounds

US20230391786, Example 183
CID 170426826
US20230391786, Example 126
CID 170426882
US20230391786, Example 184
CID 170426899
US20230391786, Example 71
CID 170427890
US20230391786, Example 100
CID 170426615
US20230391786, Example 348
CID 170426666
US20230391786, Example 207
CID 170426667
US20230391786, Example 113
CID 170426668
US20230391786, Example 202
CID 170426677
US20230391786, Example 340
CID 170426724
US20230391786, Example 338
CID 170426775
US20230391786, Example 288
CID 170426842

Frequently Asked Questions

What is the IUPAC name of 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide?
The IUPAC name of 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide (CID 170427248) is 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide.
What is the SMILES notation for 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide?
The canonical SMILES for 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide is NC(=O)COc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCN(C(=O)CO)C1.
What is the InChIKey of 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide?
The InChIKey is WIBJPZKAAGSREQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O4/c19-10-3-12(29-8-13(21)27)16-15(9-4-22-23-5-9)11-6-24(14(28)7-26)1-2-25(11)18(16)17(10)20/h3-5,26H,1-2,6-8H2,(H2,21,27)(H,22,23).
What are the key properties of 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide?
2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide has a molecular weight of 438.27 g/mol, XLogP of 1.54, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6,7-dichloro-2-(2-hydroxyacetyl)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide is sourced from PubChem (CID 170427248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).