7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline

C70H75F3N10O6S3 — CID 158597764

IUPAC7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ncccc23)CC1
InChIInChI=1S/C24H24F3N3O2S.C24H27N3O2S.C22H24N4O2S/c1-29-11-8-16(9-12-29)21-15-30(23-7-5-18(13-20(21)23)24(25,26)27)33(31,32)19-6-4-17-3-2-10-28-22(17)14-19;1-25-14-11-18(12-15-25)22-17-27(23-8-4-3-7-21(22)23)30(28,29)20-10-9-19-6-5-13-26(2)24(19)16-20;1-25-12-8-16(9-13-25)20-15-26(22-19(20)5-3-11-24-22)29(27,28)18-7-6-17-4-2-10-23-21(17)14-18/h4-8,13-15,28H,2-3,9-12H2,1H3;3-4,7-11,16-17H,5-6,12-15H2,1-2H3;3,5-8,11,14-15,23H,2,4,9-10,12-13H2,1H3
InChIKeyHVGCBYOURPQXDQ-UHFFFAOYSA-N
MW1305.63 g/mol
LogP12.30
Rot. Bonds9

About 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline

7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (PubChem CID 158597764) has the molecular formula C70H75F3N10O6S3 and a molecular weight of 1305.63 g/mol. Its IUPAC name is 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.

Molecular Properties

Compound Name7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
PubChem CID158597764
Molecular FormulaC70H75F3N10O6S3
Molecular Weight1305.63 g/mol
Exact Mass1304.50
IUPAC Name7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline
SMILESCN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ncccc23)CC1
InChIInChI=1S/C24H24F3N3O2S.C24H27N3O2S.C22H24N4O2S/c1-29-11-8-16(9-12-29)21-15-30(23-7-5-18(13-20(21)23)24(25,26)27)33(31,32)19-6-4-17-3-2-10-28-22(17)14-19;1-25-14-11-18(12-15-25)22-17-27(23-8-4-3-7-21(22)23)30(28,29)20-10-9-19-6-5-13-26(2)24(19)16-20;1-25-12-8-16(9-13-25)20-15-26(22-19(20)5-3-11-24-22)29(27,28)18-7-6-17-4-2-10-23-21(17)14-18/h4-8,13-15,28H,2-3,9-12H2,1H3;3-4,7-11,16-17H,5-6,12-15H2,1-2H3;3,5-8,11,14-15,23H,2,4,9-10,12-13H2,1H3
InChIKeyHVGCBYOURPQXDQ-UHFFFAOYSA-N
XLogP12.30
TPSA167.12 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds9
Heavy Atoms92
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001305.63
LogP ≤ 512.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US9814704, Example 30
CID 70225829
3-(2,3-dihydro-1H-indol-5-yl)-5-(6-fluoro-3-pyridinyl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
CID 70648822
N-methyl-2-[8-methyl-6-[6-(trifluoromethyl)pyridin-3-yl]quinazolin-4-yl]-N-(piperidin-4-ylmethyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 86301211
3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[4-[[4-(2,2,2-trifluoroethyl)piperazin-1-yl]methyl]phenyl]pyrrolo[2,3-b]pyridine
CID 89737589
3-(1H-indol-5-yl)-1-(4-methylphenyl)sulfonyl-5-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]pyrrolo[2,3-b]pyridine
CID 89737593
8-Fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-4-pyridin-3-ylquinoline
CID 135145475
[(3R)-1-[6-[5-[(benzylamino)methyl]-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]-8-fluoroquinolin-4-yl]piperidin-3-yl]carbamic acid
CID 135145542
8-Fluoro-6-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-3-yl]quinoline
CID 135145588
N-[[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methyl]-N-methylprop-2-en-1-amine
CID 135145635
N-[[3-(8-fluoro-4-pyridin-3-ylquinolin-6-yl)-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-5-yl]methyl]-1-phenylmethanamine
CID 135145706
4-N-[(1S,3R)-3-[[2-[5,7-difluoro-1-(4-methylphenyl)sulfonylindol-3-yl]-5-fluoropyrimidin-4-yl]amino]cyclohexyl]quinazoline-2,4-diamine
CID 140961510
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

Frequently Asked Questions

What is the IUPAC name of 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The IUPAC name of 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline (CID 158597764) is 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline.
What is the SMILES notation for 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The canonical SMILES for 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)N(C)CCC4)c3ccccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)NCCC4)c3ncccc23)CC1.
What is the InChIKey of 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
The InChIKey is HVGCBYOURPQXDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F3N3O2S.C24H27N3O2S.C22H24N4O2S/c1-29-11-8-16(9-12-29)21-15-30(23-7-5-18(13-20(21)23)24(25,26)27)33(31,32)19-6-4-17-3-2-10-28-22(17)14-19;1-25-14-11-18(12-15-25)22-17-27(23-8-4-3-7-21(22)23)30(28,29)20-10-9-19-6-5-13-26(2)24(19)16-20;1-25-12-8-16(9-13-25)20-15-26(22-19(20)5-3-11-24-22)29(27,28)18-7-6-17-4-2-10-23-21(17)14-18/h4-8,13-15,28H,2-3,9-12H2,1H3;3-4,7-11,16-17H,5-6,12-15H2,1-2H3;3,5-8,11,14-15,23H,2,4,9-10,12-13H2,1H3.
What are the key properties of 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline?
7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline has a molecular weight of 1305.63 g/mol, XLogP of 12.30, 9 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-1,2,3,4-tetrahydroquinoline;1-methyl-7-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)indol-1-yl]sulfonyl-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 158597764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).