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

C15H14Cl2N4O2S — CID 170427601

IUPAC6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCS(=O)(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C15H14Cl2N4O2S/c1-24(22,23)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)
InChIKeyPCVRRMNGYYDLPF-UHFFFAOYSA-N
MW385.28 g/mol
LogP3.11
Rot. Bonds2

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

6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole (PubChem CID 170427601) has the molecular formula C15H14Cl2N4O2S and a molecular weight of 385.28 g/mol. Its IUPAC name is 6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole.

Molecular Properties

Compound Name6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
PubChem CID170427601
Molecular FormulaC15H14Cl2N4O2S
Molecular Weight385.28 g/mol
Exact Mass384.02
IUPAC Name6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole
SMILESCS(=O)(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C15H14Cl2N4O2S/c1-24(22,23)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)
InChIKeyPCVRRMNGYYDLPF-UHFFFAOYSA-N
XLogP3.11
TPSA70.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.28
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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US20230391786, Example 73
CID 170426848
6,7-Dichloro-1,2-dimethyl-3-(1H-pyrazol-4-yl)indole
CID 170426855

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The IUPAC name of 6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole (CID 170427601) is 6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole.
What is the SMILES notation for 6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The canonical SMILES for 6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole is CS(=O)(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1.
What is the InChIKey of 6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole?
The InChIKey is PCVRRMNGYYDLPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O2S/c1-24(22,23)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-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole?
6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole has a molecular weight of 385.28 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-methylsulfonyl-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole is sourced from PubChem (CID 170427601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).