N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

C29H33Cl2F3N4O4SSi — CID 58268249

IUPACN-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCN(c1cc(Cl)c(C)nc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C29H33Cl2F3N4O4SSi/c1-17-23(31)15-24(37(16-42-5)43(40,41)18-8-9-22(30)21(14-18)29(32,33)34)25(36-17)26(39)19-10-12-35-27-20(19)11-13-38(27)44(6,7)28(2,3)4/h8-15,26,39H,16H2,1-7H3
InChIKeyRMAGGRBTRPFHES-UHFFFAOYSA-N
MW689.66 g/mol
LogP7.80
Rot. Bonds8

About N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide

N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 58268249) has the molecular formula C29H33Cl2F3N4O4SSi and a molecular weight of 689.66 g/mol. Its IUPAC name is N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
PubChem CID58268249
Molecular FormulaC29H33Cl2F3N4O4SSi
Molecular Weight689.66 g/mol
Exact Mass688.13
IUPAC NameN-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide
SMILESCOCN(c1cc(Cl)c(C)nc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1
InChIInChI=1S/C29H33Cl2F3N4O4SSi/c1-17-23(31)15-24(37(16-42-5)43(40,41)18-8-9-22(30)21(14-18)29(32,33)34)25(36-17)26(39)19-10-12-35-27-20(19)11-13-38(27)44(6,7)28(2,3)4/h8-15,26,39H,16H2,1-7H3
InChIKeyRMAGGRBTRPFHES-UHFFFAOYSA-N
XLogP7.80
TPSA97.55 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500689.66
LogP ≤ 57.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide (CID 58268249) is N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is COCN(c1cc(Cl)c(C)nc1C(O)c1ccnc2c1ccn2[Si](C)(C)C(C)(C)C)S(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1.
What is the InChIKey of N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is RMAGGRBTRPFHES-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33Cl2F3N4O4SSi/c1-17-23(31)15-24(37(16-42-5)43(40,41)18-8-9-22(30)21(14-18)29(32,33)34)25(36-17)26(39)19-10-12-35-27-20(19)11-13-38(27)44(6,7)28(2,3)4/h8-15,26,39H,16H2,1-7H3.
What are the key properties of N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide?
N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 689.66 g/mol, XLogP of 7.80, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[1-[tert-butyl(dimethyl)silyl]pyrrolo[2,3-b]pyridin-4-yl]-hydroxymethyl]-5-chloro-6-methyl-3-pyridinyl]-4-chloro-N-(methoxymethyl)-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 58268249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).