N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide

C21H25FN4O2S — CID 166917286

IUPACN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(C)(NS(C)(=O)=O)CC1
InChIInChI=1S/C21H25FN4O2S/c1-15-12-20-16(14-23-26(20)18-6-4-17(22)5-7-18)13-19(15)25-10-8-21(2,9-11-25)24-29(3,27)28/h4-7,12-14,24H,8-11H2,1-3H3
InChIKeyWNMSUPWSBROHAL-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.38
Rot. Bonds4

About N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide

N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide (PubChem CID 166917286) has the molecular formula C21H25FN4O2S and a molecular weight of 416.52 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide
PubChem CID166917286
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(C)(NS(C)(=O)=O)CC1
InChIInChI=1S/C21H25FN4O2S/c1-15-12-20-16(14-23-26(20)18-6-4-17(22)5-7-18)13-19(15)25-10-8-21(2,9-11-25)24-29(3,27)28/h4-7,12-14,24H,8-11H2,1-3H3
InChIKeyWNMSUPWSBROHAL-UHFFFAOYSA-N
XLogP3.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2,2-dimethyl-3-phenylpropyl]methanesulfonamide
CID 24936311
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]methanesulfonamide
CID 73352322
N-[(3S)-3-[1-(4-fluorophenyl)indazol-5-yl]-2-methyl-3-phenylpropyl]ethanesulfonamide
CID 73355320
N-[3-[[4-(1-methylpyrazol-4-yl)phenyl]methyl]-2H-indazol-5-yl]methanesulfonamide
CID 118959995
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]ethanesulfonamide
CID 46831700
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]methanesulfonamide
CID 46831701
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 46831957
N-[4-[1-(4-fluorophenyl)indazol-5-yl]-3-(trifluoromethyl)phenyl]propane-2-sulfonamide
CID 46832237
N-[(2R)-2-[[1-(4-fluorophenyl)-6-methylindazol-4-yl]amino]propyl]-2,4,6-trimethylbenzenesulfonamide
CID 53321440
N-[(2S)-1-[[1-(3-fluorophenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 53321913
N-[(2S)-1-[[1-(4-fluorophenyl)-6-methylindazol-4-yl]amino]propan-2-yl]-2,4,6-trimethylbenzenesulfonamide
CID 53323256
N-[(4-fluorophenyl)methyl]-1,5-dimethyl-4,4-dioxopyrazolo[4,5-c][2,1]benzothiazin-8-amine
CID 71567146

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide (CID 166917286) is N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(C)(NS(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide?
The InChIKey is WNMSUPWSBROHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c1-15-12-20-16(14-23-26(20)18-6-4-17(22)5-7-18)13-19(15)25-10-8-21(2,9-11-25)24-29(3,27)28/h4-7,12-14,24H,8-11H2,1-3H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide?
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.38, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]-4-methylpiperidin-4-yl]methanesulfonamide is sourced from PubChem (CID 166917286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).