3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione

C20H18Cl2N6O3 — CID 170426708

IUPAC3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)C1=O
InChIInChI=1S/C20H18Cl2N6O3/c1-25-9-16(30)28(20(25)31)10-15(29)26-4-5-27-14(8-26)17(11-6-23-24-7-11)12-2-3-13(21)18(22)19(12)27/h2-3,6-7H,4-5,8-10H2,1H3,(H,23,24)
InChIKeyAQSJNVHGAGFMQA-UHFFFAOYSA-N
MW461.31 g/mol
LogP2.57
Rot. Bonds3

About 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione

3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione (PubChem CID 170426708) has the molecular formula C20H18Cl2N6O3 and a molecular weight of 461.31 g/mol. Its IUPAC name is 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
PubChem CID170426708
Molecular FormulaC20H18Cl2N6O3
Molecular Weight461.31 g/mol
Exact Mass460.08
IUPAC Name3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione
SMILESCN1CC(=O)N(CC(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)C1=O
InChIInChI=1S/C20H18Cl2N6O3/c1-25-9-16(30)28(20(25)31)10-15(29)26-4-5-27-14(8-26)17(11-6-23-24-7-11)12-2-3-13(21)18(22)19(12)27/h2-3,6-7H,4-5,8-10H2,1H3,(H,23,24)
InChIKeyAQSJNVHGAGFMQA-UHFFFAOYSA-N
XLogP2.57
TPSA94.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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

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Related Compounds

US20230391786, Example 274
CID 170426644
US20230391786, Example 256
CID 170426856
US20230391786, Example 275
CID 170427041
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
2-Amino-1-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]ethanone
CID 166627122
2-amino-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]acetamide
CID 166627819
1-[6,7-Dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-(methylamino)ethanone
CID 166631177
(2S)-N-[2-[6,7-dichloro-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-oxoethyl]-4,4-difluoropyrrolidine-2-carboxamide
CID 166634267
US20230391786, Example 20
CID 170426488
US20230391786, Example 180
CID 170426516
US20230391786, Example 154
CID 170426540

Frequently Asked Questions

What is the IUPAC name of 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione (CID 170426708) is 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione is CN1CC(=O)N(CC(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)C1=O.
What is the InChIKey of 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
The InChIKey is AQSJNVHGAGFMQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N6O3/c1-25-9-16(30)28(20(25)31)10-15(29)26-4-5-27-14(8-26)17(11-6-23-24-7-11)12-2-3-13(21)18(22)19(12)27/h2-3,6-7H,4-5,8-10H2,1H3,(H,23,24).
What are the key properties of 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione?
3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione has a molecular weight of 461.31 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1-methylimidazolidine-2,4-dione is sourced from PubChem (CID 170426708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).