6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one

C70H70F3N11O9S3 — CID 160764409

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

6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one (PubChem CID 160764409) has the molecular formula C70H70F3N11O9S3 and a molecular weight of 1362.59 g/mol. Its IUPAC name is 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one.

Molecular Properties

• Compound Name: 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
• PubChem CID: 160764409
• Molecular Formula: C70H70F3N11O9S3
• Molecular Weight: 1362.59 g/mol
• Exact Mass: 1361.45
• IUPAC Name: 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one
• SMILES: CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ncccc23)CC1
• InChI: InChI=1S/C25H24F3N3O3S.C23H24N4O3S.C22H22N4O3S/c1-29-11-9-16(10-12-29)21-15-31(23-6-4-18(14-20(21)23)25(26,27)28)35(33,34)19-5-7-22-17(13-19)3-8-24(32)30(22)2;1-25-12-9-16(10-13-25)20-15-27(23-19(20)4-3-11-24-23)31(29,30)18-6-7-21-17(14-18)5-8-22(28)26(21)2;1-25-11-8-15(9-12-25)19-14-26(22-18(19)3-2-10-23-22)30(28,29)17-5-6-20-16(13-17)4-7-21(27)24-20/h4-7,9,13-15H,3,8,10-12H2,1-2H3;3-4,6-7,9,11,14-15H,5,8,10,12-13H2,1-2H3;2-3,5-6,8,10,13-14H,4,7,9,11-12H2,1H3,(H,24,27)
• InChIKey: RYMKZQCFHTXAPJ-UHFFFAOYSA-N
• XLogP: 10.30
• TPSA: 222.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 17
• Rotatable Bonds: 9
• Heavy Atoms: 96
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1362.59
LogP ≤ 5	10.30
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	17

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?

The IUPAC name of 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one (CID 160764409) is 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one.

What is the SMILES notation for 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?

The canonical SMILES for 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one is CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4)c3ncccc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ccc(C(F)(F)F)cc23)CC1.CN1CC=C(c2cn(S(=O)(=O)c3ccc4c(c3)CCC(=O)N4C)c3ncccc23)CC1.

What is the InChIKey of 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?

The InChIKey is RYMKZQCFHTXAPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N3O3S.C23H24N4O3S.C22H22N4O3S/c1-29-11-9-16(10-12-29)21-15-31(23-6-4-18(14-20(21)23)25(26,27)28)35(33,34)19-5-7-22-17(13-19)3-8-24(32)30(22)2;1-25-12-9-16(10-13-25)20-15-27(23-19(20)4-3-11-24-23)31(29,30)18-6-7-21-17(14-18)5-8-22(28)26(21)2;1-25-11-8-15(9-12-25)19-14-26(22-18(19)3-2-10-23-22)30(28,29)17-5-6-20-16(13-17)4-7-21(27)24-20/h4-7,9,13-15H,3,8,10-12H2,1-2H3;3-4,6-7,9,11,14-15H,5,8,10,12-13H2,1-2H3;2-3,5-6,8,10,13-14H,4,7,9,11-12H2,1H3,(H,24,27).

What are the key properties of 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one?

6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one has a molecular weight of 1362.59 g/mol, XLogP of 10.30, 9 rotatable bonds, 1 hydrogen bond donors, and 17 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydro-1H-quinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)pyrrolo[2,3-b]pyridin-1-yl]sulfonyl-3,4-dihydroquinolin-2-one;1-methyl-6-[3-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-5-(trifluoromethyl)indol-1-yl]sulfonyl-3,4-dihydroquinolin-2-one is sourced from PubChem (CID 160764409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).