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

C15H14Cl2N4O — CID 170426932

IUPACN-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c2n1C
InChIInChI=1S/C15H14Cl2N4O/c1-8(22)18-7-12-13(9-5-19-20-6-9)10-3-4-11(16)14(17)15(10)21(12)2/h3-6H,7H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyRKVPNQXVKNCVNE-UHFFFAOYSA-N
MW337.21 g/mol
LogP3.51
Rot. Bonds3

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

N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide (PubChem CID 170426932) has the molecular formula C15H14Cl2N4O and a molecular weight of 337.21 g/mol. Its IUPAC name is N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide
PubChem CID170426932
Molecular FormulaC15H14Cl2N4O
Molecular Weight337.21 g/mol
Exact Mass336.05
IUPAC NameN-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide
SMILESCC(=O)NCc1c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c2n1C
InChIInChI=1S/C15H14Cl2N4O/c1-8(22)18-7-12-13(9-5-19-20-6-9)10-3-4-11(16)14(17)15(10)21(12)2/h3-6H,7H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyRKVPNQXVKNCVNE-UHFFFAOYSA-N
XLogP3.51
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.21
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide 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 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 251
CID 170427009
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 219
CID 170427213

Frequently Asked Questions

What is the IUPAC name of N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide?
The IUPAC name of N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide (CID 170426932) is N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide is CC(=O)NCc1c(-c2cn[nH]c2)c2ccc(Cl)c(Cl)c2n1C.
What is the InChIKey of N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide?
The InChIKey is RKVPNQXVKNCVNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl2N4O/c1-8(22)18-7-12-13(9-5-19-20-6-9)10-3-4-11(16)14(17)15(10)21(12)2/h3-6H,7H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide?
N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide has a molecular weight of 337.21 g/mol, XLogP of 3.51, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6,7-dichloro-1-methyl-3-(1H-pyrazol-4-yl)indol-2-yl]methyl]acetamide is sourced from PubChem (CID 170426932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).