5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole

C75H69F4N13O6S3 — CID 162243513

IUPAC5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole
SMILESCc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)c2)n1
InChIInChI=1S/C26H23F3N4O2S.C25H23FN4O2S.C24H23N5O2S/c1-17-30-11-8-24(31-17)19-4-3-5-21(14-19)36(34,35)33-16-23(18-9-12-32(2)13-10-18)22-15-20(26(27,28)29)6-7-25(22)33;1-17-27-11-8-24(28-17)19-4-3-5-21(14-19)33(31,32)30-16-23(18-9-12-29(2)13-10-18)22-15-20(26)6-7-25(22)30;1-17-25-12-8-23(27-17)19-5-3-6-20(15-19)32(30,31)29-16-22(18-9-13-28(2)14-10-18)21-7-4-11-26-24(21)29/h3-9,11,14-16H,10,12-13H2,1-2H3;3-9,11,14-16H,10,12-13H2,1-2H3;3-9,11-12,15-16H,10,13-14H2,1-2H3
InChIKeyZXAFAGVTZFEZKZ-UHFFFAOYSA-N
MW1420.65 g/mol
LogP13.64
Rot. Bonds12

About 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole

5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole (PubChem CID 162243513) has the molecular formula C75H69F4N13O6S3 and a molecular weight of 1420.65 g/mol. Its IUPAC name is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole.

Molecular Properties

Compound Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole
PubChem CID162243513
Molecular FormulaC75H69F4N13O6S3
Molecular Weight1420.65 g/mol
Exact Mass1419.46
IUPAC Name5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole
SMILESCc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)c2)n1
InChIInChI=1S/C26H23F3N4O2S.C25H23FN4O2S.C24H23N5O2S/c1-17-30-11-8-24(31-17)19-4-3-5-21(14-19)36(34,35)33-16-23(18-9-12-32(2)13-10-18)22-15-20(26(27,28)29)6-7-25(22)33;1-17-27-11-8-24(28-17)19-4-3-5-21(14-19)33(31,32)30-16-23(18-9-12-29(2)13-10-18)22-15-20(26)6-7-25(22)30;1-17-25-12-8-23(27-17)19-5-3-6-20(15-19)32(30,31)29-16-22(18-9-13-28(2)14-10-18)21-7-4-11-26-24(21)29/h3-9,11,14-16H,10,12-13H2,1-2H3;3-9,11,14-16H,10,12-13H2,1-2H3;3-9,11-12,15-16H,10,13-14H2,1-2H3
InChIKeyZXAFAGVTZFEZKZ-UHFFFAOYSA-N
XLogP13.64
TPSA217.16 Ų
H-Bond Donors
H-Bond Acceptors19
Rotatable Bonds12
Heavy Atoms101
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001420.65
LogP ≤ 513.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1019

Analyze 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole with MolForge

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Related Compounds

Bis(3-butyl-4,5-diphenylimidazo[1,2-a][1,6]naphthyridin-3-ium);bis(trifluoromethanesulfonate)
CID 139112601
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole
CID 24743696
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole
CID 24743725
N-[3-[4-[benzenesulfonyl-[3-(dimethylamino)propyl]amino]phenyl]-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 58790954
9-(Benzenesulfonyl)-4,6-bis[2-(3-fluorophenyl)ethenyl]pyrido[2,3-b]indole
CID 66765950
9-(Benzenesulfonyl)-4,6-bis[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole
CID 66765951
1-Benzenesulfonyl-2-(2,6-difluoro-phenyl)-5-(4-methyl-6-pyrimidin-5-yl-pyridin-3-yl)-1H-indole
CID 67042185
5-(5-(2-(2,6-difluorophenyl)-1-(phenylsulfonyl)-1H-indol-5-yl)-4-methylpyridin-2-yl)pyrimidin-2-amine
CID 67042210
7-Cyclopentyl-5-[1-(2,6-difluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 67218829
7-Cyclopentyl-5-[1-(2,4-difluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 67219648
7-Cyclopentyl-5-[1-(2-fluorophenyl)sulfonylindol-5-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 67219898
9-(Benzenesulfonyl)-6-[2-(3-fluorophenyl)ethenyl]-4-pentylpyrido[2,3-b]indole
CID 68763109

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole?
The IUPAC name of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole (CID 162243513) is 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole.
What is the SMILES notation for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole?
The canonical SMILES for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole is Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(C(F)(F)F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cc(F)ccc43)c2)n1.Cc1nccc(-c2cccc(S(=O)(=O)n3cc(C4=CCN(C)CC4)c4cccnc43)c2)n1.
What is the InChIKey of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole?
The InChIKey is ZXAFAGVTZFEZKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F3N4O2S.C25H23FN4O2S.C24H23N5O2S/c1-17-30-11-8-24(31-17)19-4-3-5-21(14-19)36(34,35)33-16-23(18-9-12-32(2)13-10-18)22-15-20(26(27,28)29)6-7-25(22)33;1-17-27-11-8-24(28-17)19-4-3-5-21(14-19)33(31,32)30-16-23(18-9-12-29(2)13-10-18)22-15-20(26)6-7-25(22)30;1-17-25-12-8-23(27-17)19-5-3-6-20(15-19)32(30,31)29-16-22(18-9-13-28(2)14-10-18)21-7-4-11-26-24(21)29/h3-9,11,14-16H,10,12-13H2,1-2H3;3-9,11,14-16H,10,12-13H2,1-2H3;3-9,11-12,15-16H,10,13-14H2,1-2H3.
What are the key properties of 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole?
5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole has a molecular weight of 1420.65 g/mol, XLogP of 13.64, 12 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylindole;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonylpyrrolo[2,3-b]pyridine;3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole is sourced from PubChem (CID 162243513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).