N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide

C16H15Cl2N5O3 — CID 170427738

IUPACN-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide
SMILESCC(=O)Nc1cc(Cl)c(Cl)c2[nH]c(CNC(=O)CO)c(-c3cn[nH]c3)c12
InChIInChI=1S/C16H15Cl2N5O3/c1-7(25)22-10-2-9(17)15(18)16-14(10)13(8-3-20-21-4-8)11(23-16)5-19-12(26)6-24/h2-4,23-24H,5-6H2,1H3,(H,19,26)(H,20,21)(H,22,25)
InChIKeyLNECAKBXLHJEQU-UHFFFAOYSA-N
MW396.23 g/mol
LogP2.43
Rot. Bonds5

About N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide

N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide (PubChem CID 170427738) has the molecular formula C16H15Cl2N5O3 and a molecular weight of 396.23 g/mol. Its IUPAC name is N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide.

Molecular Properties

Compound NameN-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide
PubChem CID170427738
Molecular FormulaC16H15Cl2N5O3
Molecular Weight396.23 g/mol
Exact Mass395.06
IUPAC NameN-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide
SMILESCC(=O)Nc1cc(Cl)c(Cl)c2[nH]c(CNC(=O)CO)c(-c3cn[nH]c3)c12
InChIInChI=1S/C16H15Cl2N5O3/c1-7(25)22-10-2-9(17)15(18)16-14(10)13(8-3-20-21-4-8)11(23-16)5-19-12(26)6-24/h2-4,23-24H,5-6H2,1H3,(H,19,26)(H,20,21)(H,22,25)
InChIKeyLNECAKBXLHJEQU-UHFFFAOYSA-N
XLogP2.43
TPSA122.90 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.23
LogP ≤ 52.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Analyze N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide 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 273
CID 170426661
US20230391786, Example 170
CID 170426687
US20230391786, Example 276
CID 170426803
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 225
CID 170426951
US20230391786, Example 275
CID 170427041

Frequently Asked Questions

What is the IUPAC name of N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide?
The IUPAC name of N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide (CID 170427738) is N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide.
What is the SMILES notation for N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide?
The canonical SMILES for N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide is CC(=O)Nc1cc(Cl)c(Cl)c2[nH]c(CNC(=O)CO)c(-c3cn[nH]c3)c12.
What is the InChIKey of N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide?
The InChIKey is LNECAKBXLHJEQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15Cl2N5O3/c1-7(25)22-10-2-9(17)15(18)16-14(10)13(8-3-20-21-4-8)11(23-16)5-19-12(26)6-24/h2-4,23-24H,5-6H2,1H3,(H,19,26)(H,20,21)(H,22,25).
What are the key properties of N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide?
N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide has a molecular weight of 396.23 g/mol, XLogP of 2.43, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-acetamido-6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-2-yl]methyl]-2-hydroxyacetamide is sourced from PubChem (CID 170427738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).