1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

C74H58Cl3F3N10O5S2 — CID 161417338

About 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine

1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 161417338) has the molecular formula C74H58Cl3F3N10O5S2 and a molecular weight of 1394.83 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

• Compound Name: 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• PubChem CID: 161417338
• Molecular Formula: C74H58Cl3F3N10O5S2
• Molecular Weight: 1394.83 g/mol
• Exact Mass: 1392.31
• IUPAC Name: 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine
• SMILES: Fc1cccc(Cl)c1CCc1ccc(Cc2c[nH]c3ncccc23)cn1.Nc1ccc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cn1.O=Cc1c(F)cccc1Cl.O=S(=O)(c1ccccc1)n1cc(Cc2ccc(CCc3c(F)cccc3Cl)nc2)c2cccnc21
• InChI: InChI=1S/C27H21ClFN3O2S.C21H17ClFN3.C19H16N4O2S.C7H4ClFO/c28-25-9-4-10-26(29)24(25)14-13-21-12-11-19(17-31-21)16-20-18-32(27-23(20)8-5-15-30-27)35(33,34)22-6-2-1-3-7-22;22-19-4-1-5-20(23)18(19)9-8-16-7-6-14(12-25-16)11-15-13-26-21-17(15)3-2-10-24-21;20-18-9-8-14(12-22-18)11-15-13-23(19-17(15)7-4-10-21-19)26(24,25)16-5-2-1-3-6-16;8-6-2-1-3-7(9)5(6)4-10/h1-12,15,17-18H,13-14,16H2;1-7,10,12-13H,8-9,11H2,(H,24,26);1-10,12-13H,11H2,(H2,20,22);1-4H
• InChIKey: VWGJOVMYYSUIEX-UHFFFAOYSA-N
• XLogP: 16.10
• TPSA: 214.36 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 17
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1394.83
LogP ≤ 5	16.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The IUPAC name of 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine (CID 161417338) is 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine.

What is the SMILES notation for 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The canonical SMILES for 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is Fc1cccc(Cl)c1CCc1ccc(Cc2c[nH]c3ncccc23)cn1.Nc1ccc(Cc2cn(S(=O)(=O)c3ccccc3)c3ncccc23)cn1.O=Cc1c(F)cccc1Cl.O=S(=O)(c1ccccc1)n1cc(Cc2ccc(CCc3c(F)cccc3Cl)nc2)c2cccnc21.

What is the InChIKey of 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

The InChIKey is VWGJOVMYYSUIEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21ClFN3O2S.C21H17ClFN3.C19H16N4O2S.C7H4ClFO/c28-25-9-4-10-26(29)24(25)14-13-21-12-11-19(17-31-21)16-20-18-32(27-23(20)8-5-15-30-27)35(33,34)22-6-2-1-3-7-22;22-19-4-1-5-20(23)18(19)9-8-16-7-6-14(12-25-16)11-15-13-26-21-17(15)3-2-10-24-21;20-18-9-8-14(12-22-18)11-15-13-23(19-17(15)7-4-10-21-19)26(24,25)16-5-2-1-3-6-16;8-6-2-1-3-7(9)5(6)4-10/h1-12,15,17-18H,13-14,16H2;1-7,10,12-13H,8-9,11H2,(H,24,26);1-10,12-13H,11H2,(H2,20,22);1-4H.

What are the key properties of 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine?

1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 1394.83 g/mol, XLogP of 16.10, 17 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(benzenesulfonyl)-3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]pyrrolo[2,3-b]pyridine;5-[[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-3-yl]methyl]pyridin-2-amine;2-chloro-6-fluorobenzaldehyde;3-[[6-[2-(2-chloro-6-fluorophenyl)ethyl]-3-pyridinyl]methyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 161417338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).