5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole

C23H27FN4O2S — CID 166917128

IUPAC5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole
SMILESC[C@@H]1CN(S(=O)(=O)C2CCCC2)CCN1c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H27FN4O2S/c1-17-16-26(31(29,30)22-4-2-3-5-22)12-13-27(17)21-10-11-23-18(14-21)15-25-28(23)20-8-6-19(24)7-9-20/h6-11,14-15,17,22H,2-5,12-13,16H2,1H3/t17-/m1/s1
InChIKeyYVNGTBIIEJMOLN-QGZVFWFLSA-N
MW442.56 g/mol
LogP3.95
Rot. Bonds4

About 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole

5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole (PubChem CID 166917128) has the molecular formula C23H27FN4O2S and a molecular weight of 442.56 g/mol. Its IUPAC name is 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole.

Molecular Properties

Compound Name5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole
PubChem CID166917128
Molecular FormulaC23H27FN4O2S
Molecular Weight442.56 g/mol
Exact Mass442.18
IUPAC Name5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole
SMILESC[C@@H]1CN(S(=O)(=O)C2CCCC2)CCN1c1ccc2c(cnn2-c2ccc(F)cc2)c1
InChIInChI=1S/C23H27FN4O2S/c1-17-16-26(31(29,30)22-4-2-3-5-22)12-13-27(17)21-10-11-23-18(14-21)15-25-28(23)20-8-6-19(24)7-9-20/h6-11,14-15,17,22H,2-5,12-13,16H2,1H3/t17-/m1/s1
InChIKeyYVNGTBIIEJMOLN-QGZVFWFLSA-N
XLogP3.95
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole?
The IUPAC name of 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole (CID 166917128) is 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole.
What is the SMILES notation for 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole?
The canonical SMILES for 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole is C[C@@H]1CN(S(=O)(=O)C2CCCC2)CCN1c1ccc2c(cnn2-c2ccc(F)cc2)c1.
What is the InChIKey of 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole?
The InChIKey is YVNGTBIIEJMOLN-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H27FN4O2S/c1-17-16-26(31(29,30)22-4-2-3-5-22)12-13-27(17)21-10-11-23-18(14-21)15-25-28(23)20-8-6-19(24)7-9-20/h6-11,14-15,17,22H,2-5,12-13,16H2,1H3/t17-/m1/s1.
What are the key properties of 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole?
5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole has a molecular weight of 442.56 g/mol, XLogP of 3.95, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2R)-4-cyclopentylsulfonyl-2-methylpiperazin-1-yl]-1-(4-fluorophenyl)indazole is sourced from PubChem (CID 166917128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).