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

C18H17Cl2N5O2 — CID 170426718

IUPAC4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C18H17Cl2N5O2/c19-12-2-1-11-16(10-7-22-23-8-10)13-9-24(15(27)4-3-14(21)26)5-6-25(13)18(11)17(12)20/h1-2,7-8H,3-6,9H2,(H2,21,26)(H,22,23)
InChIKeyAUFIARYZWUVUPW-UHFFFAOYSA-N
MW406.27 g/mol
LogP2.95
Rot. Bonds4

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

4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide (PubChem CID 170426718) has the molecular formula C18H17Cl2N5O2 and a molecular weight of 406.27 g/mol. Its IUPAC name is 4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide.

Molecular Properties

Compound Name4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide
PubChem CID170426718
Molecular FormulaC18H17Cl2N5O2
Molecular Weight406.27 g/mol
Exact Mass405.08
IUPAC Name4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide
SMILESNC(=O)CCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1
InChIInChI=1S/C18H17Cl2N5O2/c19-12-2-1-11-16(10-7-22-23-8-10)13-9-24(15(27)4-3-14(21)26)5-6-25(13)18(11)17(12)20/h1-2,7-8H,3-6,9H2,(H2,21,26)(H,22,23)
InChIKeyAUFIARYZWUVUPW-UHFFFAOYSA-N
XLogP2.95
TPSA97.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 52.95
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
8-[3-chloro-5-(1H-indazol-5-yl)-4-pyridinyl]-2,8-diazaspiro[4.5]decan-1-one
CID 118730680
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

Frequently Asked Questions

What is the IUPAC name of 4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide?
The IUPAC name of 4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide (CID 170426718) is 4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide.
What is the SMILES notation for 4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide?
The canonical SMILES for 4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide is NC(=O)CCC(=O)N1CCn2c(c(-c3cn[nH]c3)c3ccc(Cl)c(Cl)c32)C1.
What is the InChIKey of 4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide?
The InChIKey is AUFIARYZWUVUPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17Cl2N5O2/c19-12-2-1-11-16(10-7-22-23-8-10)13-9-24(15(27)4-3-14(21)26)5-6-25(13)18(11)17(12)20/h1-2,7-8H,3-6,9H2,(H2,21,26)(H,22,23).
What are the key properties of 4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide?
4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide has a molecular weight of 406.27 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6,7-dichloro-10-(1H-pyrazol-4-yl)-3,4-dihydro-1H-pyrazino[1,2-a]indol-2-yl]-4-oxobutanamide is sourced from PubChem (CID 170426718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).