5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole

C46H33F7N12 — CID 161389555

IUPAC5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole
SMILESCn1cc(-c2c[nH]c3cc(F)ccc23)cn1.FC(F)(F)c1ccc2c(-c3cn[nH]c3)c[nH]c2c1.Fc1cc2[nH]cc(-c3cn[nH]c3)c2cc1F.Fc1ccc2c(-c3cn[nH]c3)c[nH]c2c1
InChIInChI=1S/C12H8F3N3.C12H10FN3.C11H7F2N3.C11H8FN3/c13-12(14,15)8-1-2-9-10(6-16-11(9)3-8)7-4-17-18-5-7;1-16-7-8(5-15-16)11-6-14-12-4-9(13)2-3-10(11)12;12-9-1-7-8(6-3-15-16-4-6)5-14-11(7)2-10(9)13;12-8-1-2-9-10(6-13-11(9)3-8)7-4-14-15-5-7/h1-6,16H,(H,17,18);2-7,14H,1H3;1-5,14H,(H,15,16);1-6,13H,(H,14,15)
InChIKeyVSUNRZUEHFDYIN-UHFFFAOYSA-N
MW886.84 g/mol
LogP11.82
Rot. Bonds4

About 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole

5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole (PubChem CID 161389555) has the molecular formula C46H33F7N12 and a molecular weight of 886.84 g/mol. Its IUPAC name is 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole.

Molecular Properties

Compound Name5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole
PubChem CID161389555
Molecular FormulaC46H33F7N12
Molecular Weight886.84 g/mol
Exact Mass886.28
IUPAC Name5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole
SMILESCn1cc(-c2c[nH]c3cc(F)ccc23)cn1.FC(F)(F)c1ccc2c(-c3cn[nH]c3)c[nH]c2c1.Fc1cc2[nH]cc(-c3cn[nH]c3)c2cc1F.Fc1ccc2c(-c3cn[nH]c3)c[nH]c2c1
InChIInChI=1S/C12H8F3N3.C12H10FN3.C11H7F2N3.C11H8FN3/c13-12(14,15)8-1-2-9-10(6-16-11(9)3-8)7-4-17-18-5-7;1-16-7-8(5-15-16)11-6-14-12-4-9(13)2-3-10(11)12;12-9-1-7-8(6-3-15-16-4-6)5-14-11(7)2-10(9)13;12-8-1-2-9-10(6-13-11(9)3-8)7-4-14-15-5-7/h1-6,16H,(H,17,18);2-7,14H,1H3;1-5,14H,(H,15,16);1-6,13H,(H,14,15)
InChIKeyVSUNRZUEHFDYIN-UHFFFAOYSA-N
XLogP11.82
TPSA167.02 Ų
H-Bond Donors7
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms65
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500886.84
LogP ≤ 511.82
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 105

Analyze 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-3-[3-[4-[4-fluoro-2-(1H-pyrazol-4-yl)phenyl]piperazin-1-yl]propyl]-1H-indole
CID 155552188
trans-(1R,3R)-3-[4-(1H-indol-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]cyclopentan-1-amine
CID 156011496
[4-[4-(1H-indol-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]methanamine
CID 156017174
(1S)-2,2,2-trifluoro-1-[4-[4-(1H-indol-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl]ethanamine
CID 156017271
4-[4-(1H-indol-6-yl)-3-(trifluoromethyl)pyrazol-1-yl]butan-1-amine
CID 156020656
6-(1H-indol-4-yl)-1H-indazole
CID 141446054
6-(1H-indol-4-yl)-3-[(E)-2-phenylethenyl]-1H-indazole
CID 21877464
6-pyridin-4-yl-3-[(E)-2-(1H-pyrrol-2-yl)ethenyl]-1H-indazole
CID 135779187
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-3-methyl-1H-indole
CID 137351735
4-[5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 137352115
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-3-fluoro-1H-indole
CID 137352228
4-[5-[[2,4-bis(trifluoromethyl)phenyl]methyl]-2-(2,6-diethylphenyl)-6,6-dimethyl-4H-pyrrolo[3,4-c]pyrazol-3-yl]-7-fluoro-1H-indole
CID 137352697

Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole?
The IUPAC name of 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole (CID 161389555) is 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole.
What is the SMILES notation for 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole?
The canonical SMILES for 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole is Cn1cc(-c2c[nH]c3cc(F)ccc23)cn1.FC(F)(F)c1ccc2c(-c3cn[nH]c3)c[nH]c2c1.Fc1cc2[nH]cc(-c3cn[nH]c3)c2cc1F.Fc1ccc2c(-c3cn[nH]c3)c[nH]c2c1.
What is the InChIKey of 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole?
The InChIKey is VSUNRZUEHFDYIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3N3.C12H10FN3.C11H7F2N3.C11H8FN3/c13-12(14,15)8-1-2-9-10(6-16-11(9)3-8)7-4-17-18-5-7;1-16-7-8(5-15-16)11-6-14-12-4-9(13)2-3-10(11)12;12-9-1-7-8(6-3-15-16-4-6)5-14-11(7)2-10(9)13;12-8-1-2-9-10(6-13-11(9)3-8)7-4-14-15-5-7/h1-6,16H,(H,17,18);2-7,14H,1H3;1-5,14H,(H,15,16);1-6,13H,(H,14,15).
What are the key properties of 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole?
5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole has a molecular weight of 886.84 g/mol, XLogP of 11.82, 4 rotatable bonds, 7 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-3-(1H-pyrazol-4-yl)-1H-indole;6-fluoro-3-(1-methylpyrazol-4-yl)-1H-indole;6-fluoro-3-(1H-pyrazol-4-yl)-1H-indole;3-(1H-pyrazol-4-yl)-6-(trifluoromethyl)-1H-indole is sourced from PubChem (CID 161389555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).