1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one

C19H19FN4O3S — CID 163477644

IUPAC1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C19H19FN4O3S/c1-13-9-18-14(11-21-24(18)16-5-3-15(20)4-6-16)10-17(13)23-8-7-22(12-19(23)25)28(2,26)27/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyCBUYZYFYPCNPMS-UHFFFAOYSA-N
MW402.45 g/mol
LogP2.08
Rot. Bonds3

About 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one

1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one (PubChem CID 163477644) has the molecular formula C19H19FN4O3S and a molecular weight of 402.45 g/mol. Its IUPAC name is 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one.

Molecular Properties

Compound Name1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one
PubChem CID163477644
Molecular FormulaC19H19FN4O3S
Molecular Weight402.45 g/mol
Exact Mass402.12
IUPAC Name1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)CC1=O
InChIInChI=1S/C19H19FN4O3S/c1-13-9-18-14(11-21-24(18)16-5-3-15(20)4-6-16)10-17(13)23-8-7-22(12-19(23)25)28(2,26)27/h3-6,9-11H,7-8,12H2,1-2H3
InChIKeyCBUYZYFYPCNPMS-UHFFFAOYSA-N
XLogP2.08
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one?
The IUPAC name of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one (CID 163477644) is 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one.
What is the SMILES notation for 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one?
The canonical SMILES for 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCN(S(C)(=O)=O)CC1=O.
What is the InChIKey of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one?
The InChIKey is CBUYZYFYPCNPMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN4O3S/c1-13-9-18-14(11-21-24(18)16-5-3-15(20)4-6-16)10-17(13)23-8-7-22(12-19(23)25)28(2,26)27/h3-6,9-11H,7-8,12H2,1-2H3.
What are the key properties of 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one?
1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one has a molecular weight of 402.45 g/mol, XLogP of 2.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylsulfonylpiperazin-2-one is sourced from PubChem (CID 163477644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).