1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole

C58H58F10N12O6S3 — CID 158820539

IUPAC1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCc1nn(C(F)F)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.Cc1nn(C(F)F)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.Cc1nn(C(F)F)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2ccccc21
InChIInChI=1S/C20H19F5N4O2S.C19H19F3N4O2S.C19H20F2N4O2S/c1-12-18(11-28(26-12)19(21)22)32(30,31)29-10-16(13-5-7-27(2)8-6-13)15-9-14(20(23,24)25)3-4-17(15)29;1-12-18(11-25(23-12)19(21)22)29(27,28)26-10-16(13-5-7-24(2)8-6-13)15-9-14(20)3-4-17(15)26;1-13-18(12-24(22-13)19(20)21)28(26,27)25-11-16(14-7-9-23(2)10-8-14)15-5-3-4-6-17(15)25/h3-5,9-11,19H,6-8H2,1-2H3;3-5,9-11,19H,6-8H2,1-2H3;3-7,11-12,19H,8-10H2,1-2H3
InChIKeyIVUSWSZVVNSWMG-UHFFFAOYSA-N
MW1305.36 g/mol
LogP11.65
Rot. Bonds12

About 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole

1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (PubChem CID 158820539) has the molecular formula C58H58F10N12O6S3 and a molecular weight of 1305.36 g/mol. Its IUPAC name is 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
PubChem CID158820539
Molecular FormulaC58H58F10N12O6S3
Molecular Weight1305.36 g/mol
Exact Mass1304.36
IUPAC Name1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole
SMILESCc1nn(C(F)F)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.Cc1nn(C(F)F)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.Cc1nn(C(F)F)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2ccccc21
InChIInChI=1S/C20H19F5N4O2S.C19H19F3N4O2S.C19H20F2N4O2S/c1-12-18(11-28(26-12)19(21)22)32(30,31)29-10-16(13-5-7-27(2)8-6-13)15-9-14(20(23,24)25)3-4-17(15)29;1-12-18(11-25(23-12)19(21)22)29(27,28)26-10-16(13-5-7-24(2)8-6-13)15-9-14(20)3-4-17(15)26;1-13-18(12-24(22-13)19(20)21)28(26,27)25-11-16(14-7-9-23(2)10-8-14)15-5-3-4-6-17(15)25/h3-5,9-11,19H,6-8H2,1-2H3;3-5,9-11,19H,6-8H2,1-2H3;3-7,11-12,19H,8-10H2,1-2H3
InChIKeyIVUSWSZVVNSWMG-UHFFFAOYSA-N
XLogP11.65
TPSA180.39 Ų
H-Bond Donors
H-Bond Acceptors18
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001305.36
LogP ≤ 511.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1018

Analyze 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole with MolForge

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Related Compounds

US11787780, Example 178
CID 164049209
US11787780, Example 176
CID 164136295
US11787780, Example 151
CID 166916229
US11787780, Example 153
CID 166916234
US11787780, Example 152
CID 166916274
US11787780, Example 169
CID 166916649
US11787780, Example 170
CID 166916651
US11787780, Example 173
CID 166916652
US11787780, Example 171
CID 166916665
US11787780, Example 164
CID 166916872
US11787780, Example 165
CID 166916874
US11787780, Example 147
CID 166917181

Frequently Asked Questions

What is the IUPAC name of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The IUPAC name of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole (CID 158820539) is 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole.
What is the SMILES notation for 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The canonical SMILES for 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is Cc1nn(C(F)F)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.Cc1nn(C(F)F)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.Cc1nn(C(F)F)cc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2ccccc21.
What is the InChIKey of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
The InChIKey is IVUSWSZVVNSWMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F5N4O2S.C19H19F3N4O2S.C19H20F2N4O2S/c1-12-18(11-28(26-12)19(21)22)32(30,31)29-10-16(13-5-7-27(2)8-6-13)15-9-14(20(23,24)25)3-4-17(15)29;1-12-18(11-25(23-12)19(21)22)29(27,28)26-10-16(13-5-7-24(2)8-6-13)15-9-14(20)3-4-17(15)26;1-13-18(12-24(22-13)19(20)21)28(26,27)25-11-16(14-7-9-23(2)10-8-14)15-5-3-4-6-17(15)25/h3-5,9-11,19H,6-8H2,1-2H3;3-5,9-11,19H,6-8H2,1-2H3;3-7,11-12,19H,8-10H2,1-2H3.
What are the key properties of 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole?
1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole has a molecular weight of 1305.36 g/mol, XLogP of 11.65, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indole;1-[1-(difluoromethyl)-3-methylpyrazol-4-yl]sulfonyl-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indole is sourced from PubChem (CID 158820539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).