6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole

C16H16Cl2N4O — CID 170427125

IUPAC6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCCOc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCNC1
InChIInChI=1S/C16H16Cl2N4O/c1-2-23-12-5-10(17)15(18)16-14(12)13(9-6-20-21-7-9)11-8-19-3-4-22(11)16/h5-7,19H,2-4,8H2,1H3,(H,20,21)
InChIKeyACRITVRGZDROGY-UHFFFAOYSA-N
MW351.24 g/mol
LogP3.84
Rot. Bonds3

About 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole

6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole (PubChem CID 170427125) has the molecular formula C16H16Cl2N4O and a molecular weight of 351.24 g/mol. Its IUPAC name is 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole.

Molecular Properties

Compound Name6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
PubChem CID170427125
Molecular FormulaC16H16Cl2N4O
Molecular Weight351.24 g/mol
Exact Mass350.07
IUPAC Name6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole
SMILESCCOc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCNC1
InChIInChI=1S/C16H16Cl2N4O/c1-2-23-12-5-10(17)15(18)16-14(12)13(9-6-20-21-7-9)11-8-19-3-4-22(11)16/h5-7,19H,2-4,8H2,1H3,(H,20,21)
InChIKeyACRITVRGZDROGY-UHFFFAOYSA-N
XLogP3.84
TPSA54.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.24
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole with MolForge

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Related Compounds

US20230391786, Example 70
CID 170426739
US20230391786, Example 183
CID 170426826
US20230391786, Example 126
CID 170426882
US20230391786, Example 184
CID 170426899
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 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The IUPAC name of 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole (CID 170427125) is 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole.
What is the SMILES notation for 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The canonical SMILES for 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole is CCOc1cc(Cl)c(Cl)c2c1c(-c1cn[nH]c1)c1n2CCNC1.
What is the InChIKey of 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
The InChIKey is ACRITVRGZDROGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O/c1-2-23-12-5-10(17)15(18)16-14(12)13(9-6-20-21-7-9)11-8-19-3-4-22(11)16/h5-7,19H,2-4,8H2,1H3,(H,20,21).
What are the key properties of 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole?
6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole has a molecular weight of 351.24 g/mol, XLogP of 3.84, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-9-ethoxy-10-(1H-pyrazol-4-yl)-1,2,3,4-tetrahydropyrazino[1,2-a]indole is sourced from PubChem (CID 170427125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).