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

C13H9Cl2FN4O — CID 170426687

IUPACN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide
SMILESO=C(CF)Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H9Cl2FN4O/c14-8-1-9(20-10(21)2-16)11-7(6-3-18-19-4-6)5-17-13(11)12(8)15/h1,3-5,17H,2H2,(H,18,19)(H,20,21)
InChIKeyNROWXDUEPCDASX-UHFFFAOYSA-N
MW327.15 g/mol
LogP3.77
Rot. Bonds3

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

N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide (PubChem CID 170426687) has the molecular formula C13H9Cl2FN4O and a molecular weight of 327.15 g/mol. Its IUPAC name is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide.

Molecular Properties

Compound NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide
PubChem CID170426687
Molecular FormulaC13H9Cl2FN4O
Molecular Weight327.15 g/mol
Exact Mass326.01
IUPAC NameN-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide
SMILESO=C(CF)Nc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H9Cl2FN4O/c14-8-1-9(20-10(21)2-16)11-7(6-3-18-19-4-6)5-17-13(11)12(8)15/h1,3-5,17H,2H2,(H,18,19)(H,20,21)
InChIKeyNROWXDUEPCDASX-UHFFFAOYSA-N
XLogP3.77
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.15
LogP ≤ 53.77
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 274
CID 170426644
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]-2-fluoroacetamide?
The IUPAC name of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide (CID 170426687) is N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide.
What is the SMILES notation for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide?
The canonical SMILES for N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide is O=C(CF)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]-2-fluoroacetamide?
The InChIKey is NROWXDUEPCDASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2FN4O/c14-8-1-9(20-10(21)2-16)11-7(6-3-18-19-4-6)5-17-13(11)12(8)15/h1,3-5,17H,2H2,(H,18,19)(H,20,21).
What are the key properties of N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide?
N-[6,7-dichloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2-fluoroacetamide has a molecular weight of 327.15 g/mol, XLogP of 3.77, 3 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]-2-fluoroacetamide is sourced from PubChem (CID 170426687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).