N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide

C13H9ClF2N4O — CID 170427213

IUPACN-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)cc2[nH]cc(-c3cn[nH]c3)c12)C(F)F
InChIInChI=1S/C13H9ClF2N4O/c14-7-1-9-11(10(2-7)20-13(21)12(15)16)8(5-17-9)6-3-18-19-4-6/h1-5,12,17H,(H,18,19)(H,20,21)
InChIKeyDDKXABBHLCYTQW-UHFFFAOYSA-N
MW310.69 g/mol
LogP3.41
Rot. Bonds3

About N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide

N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide (PubChem CID 170427213) has the molecular formula C13H9ClF2N4O and a molecular weight of 310.69 g/mol. Its IUPAC name is N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide
PubChem CID170427213
Molecular FormulaC13H9ClF2N4O
Molecular Weight310.69 g/mol
Exact Mass310.04
IUPAC NameN-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)cc2[nH]cc(-c3cn[nH]c3)c12)C(F)F
InChIInChI=1S/C13H9ClF2N4O/c14-7-1-9-11(10(2-7)20-13(21)12(15)16)8(5-17-9)6-3-18-19-4-6/h1-5,12,17H,(H,18,19)(H,20,21)
InChIKeyDDKXABBHLCYTQW-UHFFFAOYSA-N
XLogP3.41
TPSA73.57 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.69
LogP ≤ 53.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Analyze N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide with MolForge

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Related Compounds

1-[[2-(3-chlorophenyl)-5-(trifluoromethyl)pyrazol-3-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 49803625
1-[[1-(3-chloro-4-fluorophenyl)-3-(trifluoromethyl)pyrazol-5-yl]methyl]-3-(1H-indazol-4-yl)urea
CID 162661447
8-Chloro-1,4,5,10-tetrahydropyrazolo[5,4-a]carbazole
CID 135453861
N-(3-chlorophenyl)-N'-[3-[(E)-2-pyridin-2-ylethenyl]-1H-indazol-6-yl]propanediamide
CID 141764042
1-(4-chlorobenzyl)-N'-(1H-indol-3-ylmethylene)-1H-pyrazole-3-carbohydrazide
CID 135411603
N-(6-chloro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 162444735
N-(6-chloro-5-fluoro-1H-indol-3-yl)-1-[[4-(trifluoromethyl)phenyl]methyl]pyrazole-4-carboxamide
CID 162444846
US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 225
CID 170426951
US20230391786, Example 275
CID 170427041

Frequently Asked Questions

What is the IUPAC name of N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide (CID 170427213) is N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide is O=C(Nc1cc(Cl)cc2[nH]cc(-c3cn[nH]c3)c12)C(F)F.
What is the InChIKey of N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
The InChIKey is DDKXABBHLCYTQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9ClF2N4O/c14-7-1-9-11(10(2-7)20-13(21)12(15)16)8(5-17-9)6-3-18-19-4-6/h1-5,12,17H,(H,18,19)(H,20,21).
What are the key properties of N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide has a molecular weight of 310.69 g/mol, XLogP of 3.41, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-chloro-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 170427213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).