6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one

C16H14Cl2N4O2 — CID 170427541

IUPAC6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one
SMILESO=C1Cn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)CN1CCO
InChIInChI=1S/C16H14Cl2N4O2/c17-11-2-1-10-14(9-5-19-20-6-9)12-7-21(3-4-23)13(24)8-22(12)16(10)15(11)18/h1-2,5-6,23H,3-4,7-8H2,(H,19,20)
InChIKeyDNLQAFCGIVPXIG-UHFFFAOYSA-N
MW365.22 g/mol
LogP2.67
Rot. Bonds3

About 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one

6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one (PubChem CID 170427541) has the molecular formula C16H14Cl2N4O2 and a molecular weight of 365.22 g/mol. Its IUPAC name is 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one.

Molecular Properties

Compound Name6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one
PubChem CID170427541
Molecular FormulaC16H14Cl2N4O2
Molecular Weight365.22 g/mol
Exact Mass364.05
IUPAC Name6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one
SMILESO=C1Cn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)CN1CCO
InChIInChI=1S/C16H14Cl2N4O2/c17-11-2-1-10-14(9-5-19-20-6-9)12-7-21(3-4-23)13(24)8-22(12)16(10)15(11)18/h1-2,5-6,23H,3-4,7-8H2,(H,19,20)
InChIKeyDNLQAFCGIVPXIG-UHFFFAOYSA-N
XLogP2.67
TPSA74.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.22
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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 276
CID 170426803
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
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

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one?
The IUPAC name of 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one (CID 170427541) is 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one.
What is the SMILES notation for 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one?
The canonical SMILES for 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one is O=C1Cn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)CN1CCO.
What is the InChIKey of 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one?
The InChIKey is DNLQAFCGIVPXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14Cl2N4O2/c17-11-2-1-10-14(9-5-19-20-6-9)12-7-21(3-4-23)13(24)8-22(12)16(10)15(11)18/h1-2,5-6,23H,3-4,7-8H2,(H,19,20).
What are the key properties of 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one?
6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one has a molecular weight of 365.22 g/mol, XLogP of 2.67, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-2-(2-hydroxyethyl)-10-(1H-pyrazol-4-yl)-1,4-dihydropyrazino[1,2-a]indol-3-one is sourced from PubChem (CID 170427541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).