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

C50H68ClF3N6O5SSi2 — CID 123896603

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

4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde (PubChem CID 123896603) has the molecular formula C50H68ClF3N6O5SSi2 and a molecular weight of 1013.82 g/mol. Its IUPAC name is 4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde.

Molecular Properties

• Compound Name: 4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde
• PubChem CID: 123896603
• Molecular Formula: C50H68ClF3N6O5SSi2
• Molecular Weight: 1013.82 g/mol
• Exact Mass: 1012.42
• IUPAC Name: 4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde
• SMILES: COCN(c1cccnc1C(O)c1c(C)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C=O
• InChI: InChI=1S/C32H40ClF3N4O4SSi.C18H28N2OSi/c1-19(2)46(20(3)4,21(5)6)40-15-13-24-28(22(7)17-38-31(24)40)30(41)29-27(10-9-14-37-29)39(18-44-8)45(42,43)23-11-12-26(33)25(16-23)32(34,35)36;1-12(2)22(13(3)4,14(5)6)20-9-8-16-17(11-21)15(7)10-19-18(16)20/h9-17,19-21,30,41H,18H2,1-8H3;8-14H,1-7H3
• InChIKey: RNRAQOWQLSFJKO-UHFFFAOYSA-N
• XLogP: 13.50
• TPSA: 132.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 16
• Heavy Atoms: 68
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1013.82
LogP ≤ 5	13.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'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-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde?

The IUPAC name of 4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde (CID 123896603) is 4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde.

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

The canonical SMILES for 4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde is COCN(c1cccnc1C(O)c1c(C)cnc2c1ccn2[Si](C(C)C)(C(C)C)C(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.Cc1cnc2c(ccn2[Si](C(C)C)(C(C)C)C(C)C)c1C=O.

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

The InChIKey is RNRAQOWQLSFJKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H40ClF3N4O4SSi.C18H28N2OSi/c1-19(2)46(20(3)4,21(5)6)40-15-13-24-28(22(7)17-38-31(24)40)30(41)29-27(10-9-14-37-29)39(18-44-8)45(42,43)23-11-12-26(33)25(16-23)32(34,35)36;1-12(2)22(13(3)4,14(5)6)20-9-8-16-17(11-21)15(7)10-19-18(16)20/h9-17,19-21,30,41H,18H2,1-8H3;8-14H,1-7H3.

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

4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde has a molecular weight of 1013.82 g/mol, XLogP of 13.50, 16 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-N-[2-[hydroxy-[5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridin-4-yl]methyl]-3-pyridinyl]-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide;5-methyl-1-tri(propan-2-yl)silylpyrrolo[2,3-b]pyridine-4-carbaldehyde is sourced from PubChem (CID 123896603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).