5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole

C31H32FN5O3S — CID 166916908

IUPAC5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole
SMILESCCCn1cc(S(=O)(=O)N2CCC(Cc3ccccc3)(c3cc4cnn(-c5ccc(F)cc5)c4cc3OC)C2)cn1
InChIInChI=1S/C31H32FN5O3S/c1-3-14-35-21-27(20-33-35)41(38,39)36-15-13-31(22-36,18-23-7-5-4-6-8-23)28-16-24-19-34-37(29(24)17-30(28)40-2)26-11-9-25(32)10-12-26/h4-12,16-17,19-21H,3,13-15,18,22H2,1-2H3
InChIKeyUJYAGJGCEMFAAJ-UHFFFAOYSA-N
MW573.69 g/mol
LogP5.35
Rot. Bonds9

About 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole

5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole (PubChem CID 166916908) has the molecular formula C31H32FN5O3S and a molecular weight of 573.69 g/mol. Its IUPAC name is 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole.

Molecular Properties

Compound Name5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole
PubChem CID166916908
Molecular FormulaC31H32FN5O3S
Molecular Weight573.69 g/mol
Exact Mass573.22
IUPAC Name5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole
SMILESCCCn1cc(S(=O)(=O)N2CCC(Cc3ccccc3)(c3cc4cnn(-c5ccc(F)cc5)c4cc3OC)C2)cn1
InChIInChI=1S/C31H32FN5O3S/c1-3-14-35-21-27(20-33-35)41(38,39)36-15-13-31(22-36,18-23-7-5-4-6-8-23)28-16-24-19-34-37(29(24)17-30(28)40-2)26-11-9-25(32)10-12-26/h4-12,16-17,19-21H,3,13-15,18,22H2,1-2H3
InChIKeyUJYAGJGCEMFAAJ-UHFFFAOYSA-N
XLogP5.35
TPSA82.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500573.69
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole with MolForge

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Related Compounds

US11787780, Example 144
CID 166916291
US11787780, Example 219
CID 166916668
US11787780, Example 217
CID 166916671
US11787780, Example 218
CID 166916686
US11787780, Example 160
CID 166916870
US11787780, Example 166
CID 166916890
US11787780, Example 161
CID 166916909
US11787780, Example 243
CID 166917295
US11787780, Example 212
CID 166917316
US11787780, Example 265
CID 163811298
US11787780, Example 321
CID 166917148
US20250115583, Example 43
CID 168960974

Frequently Asked Questions

What is the IUPAC name of 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole?
The IUPAC name of 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole (CID 166916908) is 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole.
What is the SMILES notation for 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole?
The canonical SMILES for 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole is CCCn1cc(S(=O)(=O)N2CCC(Cc3ccccc3)(c3cc4cnn(-c5ccc(F)cc5)c4cc3OC)C2)cn1.
What is the InChIKey of 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole?
The InChIKey is UJYAGJGCEMFAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H32FN5O3S/c1-3-14-35-21-27(20-33-35)41(38,39)36-15-13-31(22-36,18-23-7-5-4-6-8-23)28-16-24-19-34-37(29(24)17-30(28)40-2)26-11-9-25(32)10-12-26/h4-12,16-17,19-21H,3,13-15,18,22H2,1-2H3.
What are the key properties of 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole?
5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole has a molecular weight of 573.69 g/mol, XLogP of 5.35, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-benzyl-1-(1-propylpyrazol-4-yl)sulfonylpyrrolidin-3-yl]-1-(4-fluorophenyl)-6-methoxyindazole is sourced from PubChem (CID 166916908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).