N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine

C70H77F3N10O8S3 — CID 157232105

About N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine

N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine (PubChem CID 157232105) has the molecular formula C70H77F3N10O8S3 and a molecular weight of 1339.64 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine.

Molecular Properties

• Compound Name: N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine
• PubChem CID: 157232105
• Molecular Formula: C70H77F3N10O8S3
• Molecular Weight: 1339.64 g/mol
• Exact Mass: 1338.50
• IUPAC Name: N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ncccc23)CC1
• InChI: InChI=1S/C25H26F3N3O3S.C23H26N4O3S.C22H25N3O2S/c1-29-10-8-18(9-11-29)23-17-31(24-7-2-19(16-22(23)24)25(26,27)28)35(32,33)21-5-3-20(4-6-21)30-12-14-34-15-13-30;1-25-11-8-18(9-12-25)22-17-27(23-21(22)3-2-10-24-23)31(28,29)20-6-4-19(5-7-20)26-13-15-30-16-14-26;1-23(2)18-8-10-19(11-9-18)28(26,27)25-16-21(17-12-14-24(3)15-13-17)20-6-4-5-7-22(20)25/h2-8,16-17H,9-15H2,1H3;2-8,10,17H,9,11-16H2,1H3;4-12,16H,13-15H2,1-3H3
• InChIKey: AUFKSIKQBHOAFX-UHFFFAOYSA-N
• XLogP: 10.94
• TPSA: 168.00 Ų
• H-Bond Acceptors: 18
• Rotatable Bonds: 12
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1339.64
LogP ≤ 5	10.94
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	18

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine?

The IUPAC name of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine (CID 157232105) is N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine.

What is the SMILES notation for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine?

The canonical SMILES for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N4CCOCC4)cc3)c3ncccc23)CC1.

What is the InChIKey of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine?

The InChIKey is AUFKSIKQBHOAFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N3O3S.C23H26N4O3S.C22H25N3O2S/c1-29-10-8-18(9-11-29)23-17-31(24-7-2-19(16-22(23)24)25(26,27)28)35(32,33)21-5-3-20(4-6-21)30-12-14-34-15-13-30;1-25-11-8-18(9-12-25)22-17-27(23-21(22)3-2-10-24-23)31(28,29)20-6-4-19(5-7-20)26-13-15-30-16-14-26;1-23(2)18-8-10-19(11-9-18)28(26,27)25-16-21(17-12-14-24(3)15-13-17)20-6-4-5-7-22(20)25/h2-8,16-17H,9-15H2,1H3;2-8,10,17H,9,11-16H2,1H3;4-12,16H,13-15H2,1-3H3.

What are the key properties of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine?

N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine has a molecular weight of 1339.64 g/mol, XLogP of 10.94, 12 rotatable bonds, 0 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonylaniline;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylphenyl]morpholine;4-[4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylphenyl]morpholine is sourced from PubChem (CID 157232105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).