6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine

C13H10Cl2F2N4 — CID 170427066

IUPAC6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
SMILESFC(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H10Cl2F2N4/c14-8-1-9(18-5-10(16)17)11-7(6-2-20-21-3-6)4-19-13(11)12(8)15/h1-4,10,18-19H,5H2,(H,20,21)
InChIKeyBLQOOSMTQUQGNU-UHFFFAOYSA-N
MW331.15 g/mol
LogP4.54
Rot. Bonds4

About 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine

6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine (PubChem CID 170427066) has the molecular formula C13H10Cl2F2N4 and a molecular weight of 331.15 g/mol. Its IUPAC name is 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine.

Molecular Properties

Compound Name6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
PubChem CID170427066
Molecular FormulaC13H10Cl2F2N4
Molecular Weight331.15 g/mol
Exact Mass330.03
IUPAC Name6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine
SMILESFC(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12
InChIInChI=1S/C13H10Cl2F2N4/c14-8-1-9(18-5-10(16)17)11-7(6-2-20-21-3-6)4-19-13(11)12(8)15/h1-4,10,18-19H,5H2,(H,20,21)
InChIKeyBLQOOSMTQUQGNU-UHFFFAOYSA-N
XLogP4.54
TPSA56.50 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.15
LogP ≤ 54.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

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 225
CID 170426951
US20230391786, Example 275
CID 170427041
US20230391786, Example 186
CID 170427139
US20230391786, Example 337
CID 170427186
US20230391786, Example 219
CID 170427213
US20230391786, Example 263
CID 170427235
US20230391786, Example 208
CID 170427473

Frequently Asked Questions

What is the IUPAC name of 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The IUPAC name of 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine (CID 170427066) is 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine.
What is the SMILES notation for 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The canonical SMILES for 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine is FC(F)CNc1cc(Cl)c(Cl)c2[nH]cc(-c3cn[nH]c3)c12.
What is the InChIKey of 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
The InChIKey is BLQOOSMTQUQGNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2F2N4/c14-8-1-9(18-5-10(16)17)11-7(6-2-20-21-3-6)4-19-13(11)12(8)15/h1-4,10,18-19H,5H2,(H,20,21).
What are the key properties of 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine?
6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine has a molecular weight of 331.15 g/mol, XLogP of 4.54, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dichloro-N-(2,2-difluoroethyl)-3-(1H-pyrazol-4-yl)-1H-indol-4-amine is sourced from PubChem (CID 170427066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).