2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide

C13H10ClFN4O2 — CID 170427890

IUPAC2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide
SMILESNC(=O)COc1cc(Cl)c(F)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H10ClFN4O2/c14-8-1-9(21-5-10(16)20)11-7(6-2-18-19-3-6)4-17-13(11)12(8)15/h1-4,17H,5H2,(H2,16,20)(H,18,19)
InChIKeyOYLBPGYDPNEROO-UHFFFAOYSA-N
MW308.70 g/mol
LogP2.21
Rot. Bonds4

About 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide

2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide (PubChem CID 170427890) has the molecular formula C13H10ClFN4O2 and a molecular weight of 308.70 g/mol. Its IUPAC name is 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide.

Molecular Properties

Compound Name2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide
PubChem CID170427890
Molecular FormulaC13H10ClFN4O2
Molecular Weight308.70 g/mol
Exact Mass308.05
IUPAC Name2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide
SMILESNC(=O)COc1cc(Cl)c(F)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H10ClFN4O2/c14-8-1-9(21-5-10(16)20)11-7(6-2-18-19-3-6)4-17-13(11)12(8)15/h1-4,17H,5H2,(H2,16,20)(H,18,19)
InChIKeyOYLBPGYDPNEROO-UHFFFAOYSA-N
XLogP2.21
TPSA96.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.70
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 170426739
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CID 170426826
US20230391786, Example 126
CID 170426882
US20230391786, Example 184
CID 170426899
US20230391786, Example 207
CID 170426667
US20230391786, Example 193
CID 170426941
US20230391786, Example 153
CID 170426998
US20230391786, Example 59
CID 170427040
US20230391786, Example 269
CID 170427248
US20230391786, Example 60
CID 170427277
US20230391786, Example 268
CID 170427289
US20230391786, Example 57
CID 170427330

Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide?
The IUPAC name of 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide (CID 170427890) is 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide.
What is the SMILES notation for 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide?
The canonical SMILES for 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide is NC(=O)COc1cc(Cl)c(F)c2[nH]cc(-c3cn[nH]c3)c12.
What is the InChIKey of 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide?
The InChIKey is OYLBPGYDPNEROO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFN4O2/c14-8-1-9(21-5-10(16)20)11-7(6-2-18-19-3-6)4-17-13(11)12(8)15/h1-4,17H,5H2,(H2,16,20)(H,18,19).
What are the key properties of 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide?
2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide has a molecular weight of 308.70 g/mol, XLogP of 2.21, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-7-fluoro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]oxy]acetamide is sourced from PubChem (CID 170427890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).