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

C15H12Cl2F2N4O2 — CID 170426951

IUPACN-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(Cl)c2[nH]c(CCO)c(-c3cn[nH]c3)c12)C(F)F
InChIInChI=1S/C15H12Cl2F2N4O2/c16-7-3-9(23-15(25)14(18)19)11-10(6-4-20-21-5-6)8(1-2-24)22-13(11)12(7)17/h3-5,14,22,24H,1-2H2,(H,20,21)(H,23,25)
InChIKeyLWIBIVALWKSYIE-UHFFFAOYSA-N
MW389.19 g/mol
LogP3.60
Rot. Bonds5

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

N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide (PubChem CID 170426951) has the molecular formula C15H12Cl2F2N4O2 and a molecular weight of 389.19 g/mol. Its IUPAC name is N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide.

Molecular Properties

Compound NameN-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide
PubChem CID170426951
Molecular FormulaC15H12Cl2F2N4O2
Molecular Weight389.19 g/mol
Exact Mass388.03
IUPAC NameN-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide
SMILESO=C(Nc1cc(Cl)c(Cl)c2[nH]c(CCO)c(-c3cn[nH]c3)c12)C(F)F
InChIInChI=1S/C15H12Cl2F2N4O2/c16-7-3-9(23-15(25)14(18)19)11-10(6-4-20-21-5-6)8(1-2-24)22-13(11)12(7)17/h3-5,14,22,24H,1-2H2,(H,20,21)(H,23,25)
InChIKeyLWIBIVALWKSYIE-UHFFFAOYSA-N
XLogP3.60
TPSA93.80 Ų
H-Bond Donors4
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.19
LogP ≤ 53.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 103

Analyze N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide with MolForge

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Related Compounds

US20230391786, Example 170
CID 170426687
US20230391786, Example 123
CID 170426818
US20230391786, Example 256
CID 170426856
US20230391786, Example 272
CID 170426886
US20230391786, Example 275
CID 170427041
US20230391786, Example 122
CID 170427066
US20230391786, Example 186
CID 170427139
US20230391786, Example 337
CID 170427186
US20230391786, Example 219
CID 170427213
US20230391786, Example 263
CID 170427235
US20230391786, Example 171
CID 170427560
US20230391786, Example 187
CID 170427620

Frequently Asked Questions

What is the IUPAC name of N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
The IUPAC name of N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide (CID 170426951) is N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide.
What is the SMILES notation for N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
The canonical SMILES for N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide is O=C(Nc1cc(Cl)c(Cl)c2[nH]c(CCO)c(-c3cn[nH]c3)c12)C(F)F.
What is the InChIKey of N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
The InChIKey is LWIBIVALWKSYIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2F2N4O2/c16-7-3-9(23-15(25)14(18)19)11-10(6-4-20-21-5-6)8(1-2-24)22-13(11)12(7)17/h3-5,14,22,24H,1-2H2,(H,20,21)(H,23,25).
What are the key properties of N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide?
N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide has a molecular weight of 389.19 g/mol, XLogP of 3.60, 5 rotatable bonds, 4 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6,7-dichloro-2-(2-hydroxyethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-yl]-2,2-difluoroacetamide is sourced from PubChem (CID 170426951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).