5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole

C72H66F4N10O6S6 — CID 158837442

IUPAC5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.Cc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.Cc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cccnc21
InChIInChI=1S/C25H22F3N3O2S2.C24H22FN3O2S2.C23H22N4O2S2/c1-16-24(34-23(29-16)18-6-4-3-5-7-18)35(32,33)31-15-21(17-10-12-30(2)13-11-17)20-14-19(25(26,27)28)8-9-22(20)31;1-16-24(31-23(26-16)18-6-4-3-5-7-18)32(29,30)28-15-21(17-10-12-27(2)13-11-17)20-14-19(25)8-9-22(20)28;1-16-23(30-22(25-16)18-7-4-3-5-8-18)31(28,29)27-15-20(17-10-13-26(2)14-11-17)19-9-6-12-24-21(19)27/h3-10,14-15H,11-13H2,1-2H3;3-10,14-15H,11-13H2,1-2H3;3-10,12,15H,11,13-14H2,1-2H3
InChIKeyIXUVTGZQXLIPKK-UHFFFAOYSA-N
MW1435.78 g/mol
LogP15.64
Rot. Bonds12

About 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole

5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole (PubChem CID 158837442) has the molecular formula C72H66F4N10O6S6 and a molecular weight of 1435.78 g/mol. Its IUPAC name is 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole.

Molecular Properties

Compound Name5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole
PubChem CID158837442
Molecular FormulaC72H66F4N10O6S6
Molecular Weight1435.78 g/mol
Exact Mass1434.34
IUPAC Name5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole
SMILESCc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.Cc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.Cc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cccnc21
InChIInChI=1S/C25H22F3N3O2S2.C24H22FN3O2S2.C23H22N4O2S2/c1-16-24(34-23(29-16)18-6-4-3-5-7-18)35(32,33)31-15-21(17-10-12-30(2)13-11-17)20-14-19(25(26,27)28)8-9-22(20)31;1-16-24(31-23(26-16)18-6-4-3-5-7-18)32(29,30)28-15-21(17-10-12-27(2)13-11-17)20-14-19(25)8-9-22(20)28;1-16-23(30-22(25-16)18-7-4-3-5-8-18)31(28,29)27-15-20(17-10-13-26(2)14-11-17)19-9-6-12-24-21(19)27/h3-10,14-15H,11-13H2,1-2H3;3-10,14-15H,11-13H2,1-2H3;3-10,12,15H,11,13-14H2,1-2H3
InChIKeyIXUVTGZQXLIPKK-UHFFFAOYSA-N
XLogP15.64
TPSA178.49 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001435.78
LogP ≤ 515.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole?
The IUPAC name of 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole (CID 158837442) is 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole.
What is the SMILES notation for 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole?
The canonical SMILES for 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole is Cc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(C(F)(F)F)ccc21.Cc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cc(F)ccc21.Cc1nc(-c2ccccc2)sc1S(=O)(=O)n1cc(C2=CCN(C)CC2)c2cccnc21.
What is the InChIKey of 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole?
The InChIKey is IXUVTGZQXLIPKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F3N3O2S2.C24H22FN3O2S2.C23H22N4O2S2/c1-16-24(34-23(29-16)18-6-4-3-5-7-18)35(32,33)31-15-21(17-10-12-30(2)13-11-17)20-14-19(25(26,27)28)8-9-22(20)31;1-16-24(31-23(26-16)18-6-4-3-5-7-18)32(29,30)28-15-21(17-10-12-27(2)13-11-17)20-14-19(25)8-9-22(20)28;1-16-23(30-22(25-16)18-7-4-3-5-8-18)31(28,29)27-15-20(17-10-13-26(2)14-11-17)19-9-6-12-24-21(19)27/h3-10,14-15H,11-13H2,1-2H3;3-10,14-15H,11-13H2,1-2H3;3-10,12,15H,11,13-14H2,1-2H3.
What are the key properties of 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole?
5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole has a molecular weight of 1435.78 g/mol, XLogP of 15.64, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-4-methyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-2-phenyl-1,3-thiazole;4-methyl-5-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-2-phenyl-1,3-thiazole is sourced from PubChem (CID 158837442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).