5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one

C18H15Cl2N5O3 — CID 170426516

IUPAC5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(C(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)O1
InChIInChI=1S/C18H15Cl2N5O3/c19-11-2-1-10-14(9-5-22-23-6-9)12-8-24(3-4-25(12)16(10)15(11)20)17(26)13-7-21-18(27)28-13/h1-2,5-6,13H,3-4,7-8H2,(H,21,27)(H,22,23)
InChIKeyBUTOKOQTAUCMQT-UHFFFAOYSA-N
MW420.26 g/mol
LogP2.79
Rot. Bonds2

About 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one

5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one (PubChem CID 170426516) has the molecular formula C18H15Cl2N5O3 and a molecular weight of 420.26 g/mol. Its IUPAC name is 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one
PubChem CID170426516
Molecular FormulaC18H15Cl2N5O3
Molecular Weight420.26 g/mol
Exact Mass419.06
IUPAC Name5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(C(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)O1
InChIInChI=1S/C18H15Cl2N5O3/c19-11-2-1-10-14(9-5-22-23-6-9)12-8-24(3-4-25(12)16(10)15(11)20)17(26)13-7-21-18(27)28-13/h1-2,5-6,13H,3-4,7-8H2,(H,21,27)(H,22,23)
InChIKeyBUTOKOQTAUCMQT-UHFFFAOYSA-N
XLogP2.79
TPSA92.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.26
LogP ≤ 52.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

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
US20230391786, Example 274
CID 170426644
US20230391786, Example 273
CID 170426661
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 263
CID 170427235
1-[6,7-dichloro-9-(1H-pyrazol-5-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-hydroxyethanone
CID 139387870
1-[(3R)-6,7-dichloro-3-methyl-9-(1-methylpyrazol-3-yl)-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl]-2-methoxyethanone
CID 163227333
US20230391786, Example 20
CID 170426488
US20230391786, Example 154
CID 170426540
US20230391786, Example 81
CID 170426632

Frequently Asked Questions

What is the IUPAC name of 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one (CID 170426516) is 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one is O=C1NCC(C(=O)N2CCn3c(c(-c4cn[nH]c4)c4ccc(Cl)c(Cl)c43)C2)O1.
What is the InChIKey of 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one?
The InChIKey is BUTOKOQTAUCMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15Cl2N5O3/c19-11-2-1-10-14(9-5-22-23-6-9)12-8-24(3-4-25(12)16(10)15(11)20)17(26)13-7-21-18(27)28-13/h1-2,5-6,13H,3-4,7-8H2,(H,21,27)(H,22,23).
What are the key properties of 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one?
5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one has a molecular weight of 420.26 g/mol, XLogP of 2.79, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indole-2-carbonyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 170426516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).