6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole

C15H14Cl2N4OS — CID 170610050

IUPAC6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCS(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C15H14Cl2N4OS/c1-23(22)20-4-5-21-12(8-20)13(9-6-18-19-7-9)10-2-3-11(16)14(17)15(10)21/h2-3,6-7H,4-5,8H2,1H3,(H,18,19)
InChIKeyLILPHBGFRYPLEW-UHFFFAOYSA-N
MW369.28 g/mol
LogP3.45
Rot. Bonds2

About 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole

6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 170610050) has the molecular formula C15H14Cl2N4OS and a molecular weight of 369.28 g/mol. Its IUPAC name is 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID170610050
Molecular FormulaC15H14Cl2N4OS
Molecular Weight369.28 g/mol
Exact Mass368.03
IUPAC Name6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCS(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C15H14Cl2N4OS/c1-23(22)20-4-5-21-12(8-20)13(9-6-18-19-7-9)10-2-3-11(16)14(17)15(10)21/h2-3,6-7H,4-5,8H2,1H3,(H,18,19)
InChIKeyLILPHBGFRYPLEW-UHFFFAOYSA-N
XLogP3.45
TPSA53.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 170610050) is 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole is CS(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1.
What is the InChIKey of 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is LILPHBGFRYPLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4OS/c1-23(22)20-4-5-21-12(8-20)13(9-6-18-19-7-9)10-2-3-11(16)14(17)15(10)21/h2-3,6-7H,4-5,8H2,1H3,(H,18,19).
What are the key properties of 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole?
6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 369.28 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methylsulfinyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 170610050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).