5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine

C72H76ClF4N11O9S3 — CID 159944192

About 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine

5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine (PubChem CID 159944192) has the molecular formula C72H76ClF4N11O9S3 and a molecular weight of 1447.11 g/mol. Its IUPAC name is 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine.

Molecular Properties

• Compound Name: 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine
• PubChem CID: 159944192
• Molecular Formula: C72H76ClF4N11O9S3
• Molecular Weight: 1447.11 g/mol
• Exact Mass: 1445.46
• IUPAC Name: 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine
• SMILES: CC(=O)N1CC=C(c2c[nH]c3cc(F)c(F)cc23)CC1.COc1cccc2[nH]cc(C3=CCN(C(C)=O)CC3)c12.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)c(F)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccncc23)CC1
• InChI: InChI=1S/C16H18N2O2.C15H14F2N2O.C14H15ClN2O2S.C14H14F2N2O2S.C13H15N3O2S/c1-11(19)18-8-6-12(7-9-18)13-10-17-14-4-3-5-15(20-2)16(13)14;1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-14(17)13(16)6-11(12)15;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14;1-19(17,18)16-6-3-10(4-7-16)11-9-15-13-2-5-14-8-12(11)13/h3-6,10,17H,7-9H2,1-2H3;2,6-8,18H,3-5H2,1H3;2-4,8-9,16H,5-7H2,1H3;2,6-8,17H,3-5H2,1H3;2-3,5,8-9,15H,4,6-7H2,1H3
• InChIKey: OBGWRESZZSBVJS-UHFFFAOYSA-N
• XLogP: 12.87
• TPSA: 253.83 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 10
• Rotatable Bonds: 9
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1447.11
LogP ≤ 5	12.87
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine?

The IUPAC name of 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine (CID 159944192) is 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine.

What is the SMILES notation for 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine?

The canonical SMILES for 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine is CC(=O)N1CC=C(c2c[nH]c3cc(F)c(F)cc23)CC1.COc1cccc2[nH]cc(C3=CCN(C(C)=O)CC3)c12.CS(=O)(=O)N1CC=C(c2c[nH]c3cc(F)c(F)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccc(Cl)cc23)CC1.CS(=O)(=O)N1CC=C(c2c[nH]c3ccncc23)CC1.

What is the InChIKey of 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine?

The InChIKey is OBGWRESZZSBVJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2.C15H14F2N2O.C14H15ClN2O2S.C14H14F2N2O2S.C13H15N3O2S/c1-11(19)18-8-6-12(7-9-18)13-10-17-14-4-3-5-15(20-2)16(13)14;1-9(20)19-4-2-10(3-5-19)12-8-18-15-7-14(17)13(16)6-11(12)15;1-20(18,19)17-6-4-10(5-7-17)13-9-16-14-3-2-11(15)8-12(13)14;1-21(19,20)18-4-2-9(3-5-18)11-8-17-14-7-13(16)12(15)6-10(11)14;1-19(17,18)16-6-3-10(4-7-16)11-9-15-13-2-5-14-8-12(11)13/h3-6,10,17H,7-9H2,1-2H3;2,6-8,18H,3-5H2,1H3;2-4,8-9,16H,5-7H2,1H3;2,6-8,17H,3-5H2,1H3;2-3,5,8-9,15H,4,6-7H2,1H3.

What are the key properties of 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine?

5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine has a molecular weight of 1447.11 g/mol, XLogP of 12.87, 9 rotatable bonds, 5 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(5,6-difluoro-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;5,6-difluoro-3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-indole;1-[4-(4-methoxy-1H-indol-3-yl)-3,6-dihydro-2H-pyridin-1-yl]ethanone;3-(1-methylsulfonyl-3,6-dihydro-2H-pyridin-4-yl)-1H-pyrrolo[3,2-c]pyridine is sourced from PubChem (CID 159944192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).