4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

C57H60Cl2F6N8O9S2Si — CID 123379615

About 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide

4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 123379615) has the molecular formula C57H60Cl2F6N8O9S2Si and a molecular weight of 1278.27 g/mol. Its IUPAC name is 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

• Compound Name: 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• PubChem CID: 123379615
• Molecular Formula: C57H60Cl2F6N8O9S2Si
• Molecular Weight: 1278.27 g/mol
• Exact Mass: 1276.30
• IUPAC Name: 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide
• SMILES: COCc1cnc(C(=O)c2c(C)cnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.COCc1cnc(C(=O)c2c(C)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(N(COC)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1
• InChI: InChI=1S/C34H42ClF3N4O5SSi.C23H18ClF3N4O4S/c1-20(2)49(21(3)4,22(5)6)42-13-12-26-30(23(7)16-40-33(26)42)32(43)31-29(14-24(17-39-31)18-46-8)41(19-47-9)48(44,45)25-10-11-28(35)27(15-25)34(36,37)38;1-12-9-30-22-15(5-6-28-22)19(12)21(32)20-18(7-13(10-29-20)11-35-2)31-36(33,34)14-3-4-17(24)16(8-14)23(25,26)27/h10-17,20-22H,18-19H2,1-9H3;3-10,31H,11H2,1-2H3,(H,28,30)
• InChIKey: WRAXRCKQUIXJTD-UHFFFAOYSA-N
• XLogP: 13.73
• TPSA: 217.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 14
• Rotatable Bonds: 20
• Heavy Atoms: 85
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1278.27
LogP ≤ 5	13.73
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The IUPAC name of 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide (CID 123379615) is 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide.

What is the SMILES notation for 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The canonical SMILES for 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is COCc1cnc(C(=O)c2c(C)cnc3[nH]ccc23)c(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.COCc1cnc(C(=O)c2c(C)cnc3c2ccn3[Si](C(C)C)(C(C)C)C(C)C)c(N(COC)S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)c1.

What is the InChIKey of 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

The InChIKey is WRAXRCKQUIXJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H42ClF3N4O5SSi.C23H18ClF3N4O4S/c1-20(2)49(21(3)4,22(5)6)42-13-12-26-30(23(7)16-40-33(26)42)32(43)31-29(14-24(17-39-31)18-46-8)41(19-47-9)48(44,45)25-10-11-28(35)27(15-25)34(36,37)38;1-12-9-30-22-15(5-6-28-22)19(12)21(32)20-18(7-13(10-29-20)11-35-2)31-36(33,34)14-3-4-17(24)16(8-14)23(25,26)27/h10-17,20-22H,18-19H2,1-9H3;3-10,31H,11H2,1-2H3,(H,28,30).

What are the key properties of 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide?

4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 1278.27 g/mol, XLogP of 13.73, 20 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-(methoxymethyl)-N-[5-(methoxymethyl)-2-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbonyl]-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide;4-chloro-N-[5-(methoxymethyl)-2-(5-methyl-1H-pyrrolo[2,3-b]pyridine-4-carbonyl)-3-pyridinyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 123379615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).