2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide

C20H21Cl2N5O3 — CID 170427240

IUPAC2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide
SMILESCCNC(=O)COCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H21Cl2N5O3/c1-2-23-16(28)10-30-11-17(29)26-5-6-27-15(9-26)18(12-7-24-25-8-12)13-3-4-14(21)19(22)20(13)27/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,23,28)(H,24,25)
InChIKeyBHTRMNGTYJAGSA-UHFFFAOYSA-N
MW450.33 g/mol
LogP2.83
Rot. Bonds6

About 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide

2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide (PubChem CID 170427240) has the molecular formula C20H21Cl2N5O3 and a molecular weight of 450.33 g/mol. Its IUPAC name is 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide.

Molecular Properties

Compound Name2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide
PubChem CID170427240
Molecular FormulaC20H21Cl2N5O3
Molecular Weight450.33 g/mol
Exact Mass449.10
IUPAC Name2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide
SMILESCCNC(=O)COCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C20H21Cl2N5O3/c1-2-23-16(28)10-30-11-17(29)26-5-6-27-15(9-26)18(12-7-24-25-8-12)13-3-4-14(21)19(22)20(13)27/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,23,28)(H,24,25)
InChIKeyBHTRMNGTYJAGSA-UHFFFAOYSA-N
XLogP2.83
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.33
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide 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 276
CID 170426803
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 275
CID 170427041
US20230391786, Example 252
CID 170427166
US20230391786, Example 263
CID 170427235
N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-2-piperazin-1-ylacetamide
CID 166626547

Frequently Asked Questions

What is the IUPAC name of 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide?
The IUPAC name of 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide (CID 170427240) is 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide.
What is the SMILES notation for 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide?
The canonical SMILES for 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide is CCNC(=O)COCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1.
What is the InChIKey of 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide?
The InChIKey is BHTRMNGTYJAGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21Cl2N5O3/c1-2-23-16(28)10-30-11-17(29)26-5-6-27-15(9-26)18(12-7-24-25-8-12)13-3-4-14(21)19(22)20(13)27/h3-4,7-8H,2,5-6,9-11H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide?
2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide has a molecular weight of 450.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethoxy]-N-ethylacetamide is sourced from PubChem (CID 170427240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).