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

C18H19Cl2N5O — CID 170427598

IUPAC1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone
SMILESCCNc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCN(C(C)=O)C1
InChIInChI=1S/C18H19Cl2N5O/c1-3-21-13-6-12(19)17(20)18-16(13)15(11-7-22-23-8-11)14-9-24(10(2)26)4-5-25(14)18/h6-8,21H,3-5,9H2,1-2H3,(H,22,23)
InChIKeyUGUDUHSWLHCOIN-UHFFFAOYSA-N
MW392.29 g/mol
LogP4.13
Rot. Bonds3

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

1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone (PubChem CID 170427598) has the molecular formula C18H19Cl2N5O and a molecular weight of 392.29 g/mol. Its IUPAC name is 1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone.

Molecular Properties

Compound Name1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone
PubChem CID170427598
Molecular FormulaC18H19Cl2N5O
Molecular Weight392.29 g/mol
Exact Mass391.10
IUPAC Name1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone
SMILESCCNc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCN(C(C)=O)C1
InChIInChI=1S/C18H19Cl2N5O/c1-3-21-13-6-12(19)17(20)18-16(13)15(11-7-22-23-8-11)14-9-24(10(2)26)4-5-25(14)18/h6-8,21H,3-5,9H2,1-2H3,(H,22,23)
InChIKeyUGUDUHSWLHCOIN-UHFFFAOYSA-N
XLogP4.13
TPSA65.95 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.29
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[6,7-dichloro-9-(1H-pyrazol-4-yl)-1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl]-2-hydroxyethan-1-one
CID 138393371
cGAS inhibitor TDI007635
CID 139387817
1-(6,7-Dichloro-9-(1-methyl-1H-pyrazol-3-yl)-3,4-dihydro-1H-pyrido[4,3-b]indol-2(5H)-yl)-2-hydroxyethanone
CID 139388865
US20230391786, Example 274
CID 170426644
US20230391786, Example 273
CID 170426661
US20230391786, Example 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 251
CID 170427009
US20230391786, Example 275
CID 170427041

Frequently Asked Questions

What is the IUPAC name of 1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone?
The IUPAC name of 1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone (CID 170427598) is 1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone.
What is the SMILES notation for 1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone?
The canonical SMILES for 1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone is CCNc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCN(C(C)=O)C1.
What is the InChIKey of 1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone?
The InChIKey is UGUDUHSWLHCOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19Cl2N5O/c1-3-21-13-6-12(19)17(20)18-16(13)15(11-7-22-23-8-11)14-9-24(10(2)26)4-5-25(14)18/h6-8,21H,3-5,9H2,1-2H3,(H,22,23).
What are the key properties of 1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone?
1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone has a molecular weight of 392.29 g/mol, XLogP of 4.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6,7-dichloro-9-(ethylamino)-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]ethanone is sourced from PubChem (CID 170427598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).