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

C19H20Cl2N6O2 — CID 170426891

IUPAC3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C19H20Cl2N6O2/c1-25(2)19(29)22-9-15(28)26-5-6-27-14(10-26)16(11-7-23-24-8-11)12-3-4-13(20)17(21)18(12)27/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,22,29)(H,23,24)
InChIKeyUBUGIXPMSUBTDB-UHFFFAOYSA-N
MW435.32 g/mol
LogP2.95
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]-1,1-dimethylurea

3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1,1-dimethylurea (PubChem CID 170426891) has the molecular formula C19H20Cl2N6O2 and a molecular weight of 435.32 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]-1,1-dimethylurea.

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]-1,1-dimethylurea
PubChem CID170426891
Molecular FormulaC19H20Cl2N6O2
Molecular Weight435.32 g/mol
Exact Mass434.10
IUPAC Name3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1,1-dimethylurea
SMILESCN(C)C(=O)NCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C19H20Cl2N6O2/c1-25(2)19(29)22-9-15(28)26-5-6-27-14(10-26)16(11-7-23-24-8-11)12-3-4-13(20)17(21)18(12)27/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,22,29)(H,23,24)
InChIKeyUBUGIXPMSUBTDB-UHFFFAOYSA-N
XLogP2.95
TPSA86.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.32
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1,1-dimethylurea 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 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 251
CID 170427009
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

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]-1,1-dimethylurea?
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]-1,1-dimethylurea (CID 170426891) is 3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1,1-dimethylurea.
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]-1,1-dimethylurea?
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]-1,1-dimethylurea is CN(C)C(=O)NCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1.
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]-1,1-dimethylurea?
The InChIKey is UBUGIXPMSUBTDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20Cl2N6O2/c1-25(2)19(29)22-9-15(28)26-5-6-27-14(10-26)16(11-7-23-24-8-11)12-3-4-13(20)17(21)18(12)27/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,22,29)(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]-1,1-dimethylurea?
3-[2-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-2-oxoethyl]-1,1-dimethylurea has a molecular weight of 435.32 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 4 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]-1,1-dimethylurea is sourced from PubChem (CID 170426891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).