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

C18H17Cl2N5O3 — CID 170427289

IUPAC2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide
SMILESCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(OCC(N)=O)cc(Cl)c(Cl)c32)C1
InChIInChI=1S/C18H17Cl2N5O3/c1-9(26)24-2-3-25-12(7-24)15(10-5-22-23-6-10)16-13(28-8-14(21)27)4-11(19)17(20)18(16)25/h4-6H,2-3,7-8H2,1H3,(H2,21,27)(H,22,23)
InChIKeyMJNJIDZHPVQIIG-UHFFFAOYSA-N
MW422.27 g/mol
LogP2.56
Rot. Bonds4

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

2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide (PubChem CID 170427289) has the molecular formula C18H17Cl2N5O3 and a molecular weight of 422.27 g/mol. Its IUPAC name is 2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide
PubChem CID170427289
Molecular FormulaC18H17Cl2N5O3
Molecular Weight422.27 g/mol
Exact Mass421.07
IUPAC Name2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide
SMILESCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(OCC(N)=O)cc(Cl)c(Cl)c32)C1
InChIInChI=1S/C18H17Cl2N5O3/c1-9(26)24-2-3-25-12(7-24)15(10-5-22-23-6-10)16-13(28-8-14(21)27)4-11(19)17(20)18(16)25/h4-6H,2-3,7-8H2,1H3,(H2,21,27)(H,22,23)
InChIKeyMJNJIDZHPVQIIG-UHFFFAOYSA-N
XLogP2.56
TPSA106.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.27
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide?
The IUPAC name of 2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide (CID 170427289) is 2-[[2-acetyl-6,7-dichloro-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-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide?
The canonical SMILES for 2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide is CC(=O)N1CCn2c(c(-c3cn[nH]c3)c3c(OCC(N)=O)cc(Cl)c(Cl)c32)C1.
What is the InChIKey of 2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide?
The InChIKey is MJNJIDZHPVQIIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O3/c1-9(26)24-2-3-25-12(7-24)15(10-5-22-23-6-10)16-13(28-8-14(21)27)4-11(19)17(20)18(16)25/h4-6H,2-3,7-8H2,1H3,(H2,21,27)(H,22,23).
What are the key properties of 2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide?
2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide has a molecular weight of 422.27 g/mol, XLogP of 2.56, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-acetyl-6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-9-yl]oxy]acetamide is sourced from PubChem (CID 170427289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).