N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide

C13H10Cl2N4O — CID 170426853

IUPACN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H10Cl2N4O/c1-6(20)19-10-2-9(14)12(15)13-11(10)8(5-16-13)7-3-17-18-4-7/h2-5,16H,1H3,(H,17,18)(H,19,20)
InChIKeyREMKZHLFHVNRQH-UHFFFAOYSA-N
MW309.16 g/mol
LogP3.82
Rot. Bonds2

About N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide

N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide (PubChem CID 170426853) has the molecular formula C13H10Cl2N4O and a molecular weight of 309.16 g/mol. Its IUPAC name is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide.

Molecular Properties

Compound NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide
PubChem CID170426853
Molecular FormulaC13H10Cl2N4O
Molecular Weight309.16 g/mol
Exact Mass308.02
IUPAC NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide
SMILESCC(=O)Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H10Cl2N4O/c1-6(20)19-10-2-9(14)12(15)13-11(10)8(5-16-13)7-3-17-18-4-7/h2-5,16H,1H3,(H,17,18)(H,19,20)
InChIKeyREMKZHLFHVNRQH-UHFFFAOYSA-N
XLogP3.82
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.16
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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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
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 251
CID 170427009
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 337
CID 170427186

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide?
The IUPAC name of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide (CID 170426853) is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide.
What is the SMILES notation for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide?
The canonical SMILES for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide is CC(=O)Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12.
What is the InChIKey of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide?
The InChIKey is REMKZHLFHVNRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N4O/c1-6(20)19-10-2-9(14)12(15)13-11(10)8(5-16-13)7-3-17-18-4-7/h2-5,16H,1H3,(H,17,18)(H,19,20).
What are the key properties of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide?
N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide has a molecular weight of 309.16 g/mol, XLogP of 3.82, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]acetamide is sourced from PubChem (CID 170426853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).