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

C66H72F4N10O6S3 — CID 158483047

IUPACN,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ncccc23)CC1
InChIInChI=1S/C23H24F3N3O2S.C22H24FN3O2S.C21H24N4O2S/c1-27(2)18-5-7-19(8-6-18)32(30,31)29-15-21(16-10-12-28(3)13-11-16)20-14-17(23(24,25)26)4-9-22(20)29;1-24(2)18-5-7-19(8-6-18)29(27,28)26-15-21(16-10-12-25(3)13-11-16)20-14-17(23)4-9-22(20)26;1-23(2)17-6-8-18(9-7-17)28(26,27)25-15-20(16-10-13-24(3)14-11-16)19-5-4-12-22-21(19)25/h4-10,14-15H,11-13H2,1-3H3;4-10,14-15H,11-13H2,1-3H3;4-10,12,15H,11,13-14H2,1-3H3
InChIKeyHHTJALDQTCEGJL-UHFFFAOYSA-N
MW1273.56 g/mol
LogP11.54
Rot. Bonds12

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

N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline (PubChem CID 158483047) has the molecular formula C66H72F4N10O6S3 and a molecular weight of 1273.56 g/mol. Its IUPAC name is N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
PubChem CID158483047
Molecular FormulaC66H72F4N10O6S3
Molecular Weight1273.56 g/mol
Exact Mass1272.47
IUPAC NameN,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ncccc23)CC1
InChIInChI=1S/C23H24F3N3O2S.C22H24FN3O2S.C21H24N4O2S/c1-27(2)18-5-7-19(8-6-18)32(30,31)29-15-21(16-10-12-28(3)13-11-16)20-14-17(23(24,25)26)4-9-22(20)29;1-24(2)18-5-7-19(8-6-18)29(27,28)26-15-21(16-10-12-25(3)13-11-16)20-14-17(23)4-9-22(20)26;1-23(2)17-6-8-18(9-7-17)28(26,27)25-15-20(16-10-13-24(3)14-11-16)19-5-4-12-22-21(19)25/h4-10,14-15H,11-13H2,1-3H3;4-10,14-15H,11-13H2,1-3H3;4-10,12,15H,11,13-14H2,1-3H3
InChIKeyHHTJALDQTCEGJL-UHFFFAOYSA-N
XLogP11.54
TPSA149.54 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms89
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001273.56
LogP ≤ 511.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

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

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Related Compounds

US9814704, Example 30
CID 70225829
1-methyl-N-[4-(7-methylimidazo[1,2-a]pyridin-6-yl)phenyl]-N-(2,2,2-trifluoroethyl)indole-4-sulfonamide
CID 127053238
3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-1-[3-(2-methylpyrimidin-4-yl)phenyl]sulfonyl-5-(trifluoromethyl)indole
CID 24743696
N-[3-[4-[3-(dimethylamino)propylamino]phenyl]-4-phenyl-9H-pyrido[2,3-b]indol-6-yl]-N-methyl-3-(trifluoromethyl)benzenesulfonamide
CID 58790658
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
N-[4-[6-[(4-fluorophenyl)sulfonylmethyl]-4-phenyl-9H-pyrido[2,3-b]indol-3-yl]phenyl]-N-methylmethanesulfonamide
CID 58791046
1-(Benzenesulfonyl)-2-(difluoromethyl)-4-(4-pyrrolidin-1-ylsulfonylphenyl)pyrrolo[2,3-b]pyridine
CID 59744570
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
9-(Benzenesulfonyl)-4-chloro-6-[2-(3-fluorophenyl)ethenyl]pyrido[2,3-b]indole
CID 66766157
9-(Benzenesulfonyl)-4-chloro-6-[1-(2-fluorophenyl)ethenyl]pyrido[2,3-b]indole
CID 66766158
9-(Benzenesulfonyl)-2,6-bis[2-(3-fluorophenyl)ethenyl]pyrido[2,3-b]indole
CID 66766252

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline?
The IUPAC name of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline (CID 158483047) is N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline.
What is the SMILES notation for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline?
The canonical SMILES for N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline is CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ccc(F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc(N(C)C)cc3)c3ncccc23)CC1.
What is the InChIKey of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline?
The InChIKey is HHTJALDQTCEGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N3O2S.C22H24FN3O2S.C21H24N4O2S/c1-27(2)18-5-7-19(8-6-18)32(30,31)29-15-21(16-10-12-28(3)13-11-16)20-14-17(23(24,25)26)4-9-22(20)29;1-24(2)18-5-7-19(8-6-18)29(27,28)26-15-21(16-10-12-25(3)13-11-16)20-14-17(23)4-9-22(20)26;1-23(2)17-6-8-18(9-7-17)28(26,27)25-15-20(16-10-13-24(3)14-11-16)19-5-4-12-22-21(19)25/h4-10,14-15H,11-13H2,1-3H3;4-10,14-15H,11-13H2,1-3H3;4-10,12,15H,11,13-14H2,1-3H3.
What are the key properties of N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline?
N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline has a molecular weight of 1273.56 g/mol, XLogP of 11.54, 12 rotatable bonds, 0 hydrogen bond donors, and 16 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)pyrrolo[2,3-b]pyridin-1-yl]sulfonylaniline;N,N-dimethyl-4-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonylaniline;4-[5-fluoro-3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-N,N-dimethylaniline is sourced from PubChem (CID 158483047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).