1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide

C28H40N6O5SSi — CID 170969467

IUPAC1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide
SMILESCCC(C)(OC)c1ccnc(-n2cc(S(=O)(=O)N(COCC[Si](C)(C)C)c3c(OC)ccc4cnn(C)c34)cn2)c1
InChIInChI=1S/C28H40N6O5SSi/c1-9-28(2,38-5)22-12-13-29-25(16-22)33-19-23(18-31-33)40(35,36)34(20-39-14-15-41(6,7)8)27-24(37-4)11-10-21-17-30-32(3)26(21)27/h10-13,16-19H,9,14-15,20H2,1-8H3
InChIKeyPKDYKNSGFYXUTI-UHFFFAOYSA-N
MW600.82 g/mol
LogP4.94
Rot. Bonds13

About 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide

1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide (PubChem CID 170969467) has the molecular formula C28H40N6O5SSi and a molecular weight of 600.82 g/mol. Its IUPAC name is 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide
PubChem CID170969467
Molecular FormulaC28H40N6O5SSi
Molecular Weight600.82 g/mol
Exact Mass600.26
IUPAC Name1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide
SMILESCCC(C)(OC)c1ccnc(-n2cc(S(=O)(=O)N(COCC[Si](C)(C)C)c3c(OC)ccc4cnn(C)c34)cn2)c1
InChIInChI=1S/C28H40N6O5SSi/c1-9-28(2,38-5)22-12-13-29-25(16-22)33-19-23(18-31-33)40(35,36)34(20-39-14-15-41(6,7)8)27-24(37-4)11-10-21-17-30-32(3)26(21)27/h10-13,16-19H,9,14-15,20H2,1-8H3
InChIKeyPKDYKNSGFYXUTI-UHFFFAOYSA-N
XLogP4.94
TPSA113.60 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds13
Heavy Atoms41
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.82
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide with MolForge

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Related Compounds

N-[1-methyl-6-(trifluoromethoxy)indazol-7-yl]-1-[4-(trifluoromethyl)-2-pyridinyl]-N-[1-[4-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]sulfonylpyrazole-4-sulfonamide
CID 170969478
N-[[amino-[5-[(6-methoxy-1-methylindazol-7-yl)-(2-trimethylsilylethoxymethyl)sulfamoyl]-2-pyridinyl]methylidene]amino]acetamide
CID 174209196
N-(6-methoxy-1-methylindazol-7-yl)-3-methyl-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170968701
1-[4-(3-hydroxypentan-3-yl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918643
N-(6-methoxy-1-methylindazol-7-yl)-1-(4-morpholin-4-yl-2-pyridinyl)pyrazole-4-sulfonamide
CID 175679485
1-[4-[(2R)-2-hydroxy-1-methoxypropan-2-yl]-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 171918638
1-[4-(3,3-difluoroazetidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969092
N-(6-chloro-1-methylindazol-7-yl)-1-[4-(trifluoromethyl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 170969003
1-[4-[(3R)-3-fluoropyrrolidin-1-yl]-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 175679502
1-[4-(3,3-difluoropyrrolidin-1-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969394
N-(6-methoxy-1-methylindazol-7-yl)-1-[4-(4-methylpiperidin-1-yl)-2-pyridinyl]pyrazole-4-sulfonamide
CID 175679500
N-(hydroxymethyl)-1-[4-(3-methoxycyclobutyl)-2-pyridinyl]-N-(1-methylindazol-7-yl)pyrazole-4-sulfonamide
CID 170969200

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide?
The IUPAC name of 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide (CID 170969467) is 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide is CCC(C)(OC)c1ccnc(-n2cc(S(=O)(=O)N(COCC[Si](C)(C)C)c3c(OC)ccc4cnn(C)c34)cn2)c1.
What is the InChIKey of 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide?
The InChIKey is PKDYKNSGFYXUTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H40N6O5SSi/c1-9-28(2,38-5)22-12-13-29-25(16-22)33-19-23(18-31-33)40(35,36)34(20-39-14-15-41(6,7)8)27-24(37-4)11-10-21-17-30-32(3)26(21)27/h10-13,16-19H,9,14-15,20H2,1-8H3.
What are the key properties of 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide?
1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide has a molecular weight of 600.82 g/mol, XLogP of 4.94, 13 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxybutan-2-yl)-2-pyridinyl]-N-(6-methoxy-1-methylindazol-7-yl)-N-(2-trimethylsilylethoxymethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 170969467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).