N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide

C21H25FN4O2S — CID 166916196

IUPACN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C21H25FN4O2S/c1-15-12-21-16(14-23-26(21)19-6-4-17(22)5-7-19)13-20(15)25-10-8-18(9-11-25)24(2)29(3,27)28/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeyVEAXIKUZYIJHCH-UHFFFAOYSA-N
MW416.52 g/mol
LogP3.33
Rot. Bonds4

About N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide

N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide (PubChem CID 166916196) 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]piperidin-4-yl]-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide
PubChem CID166916196
Molecular FormulaC21H25FN4O2S
Molecular Weight416.52 g/mol
Exact Mass416.17
IUPAC NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(N(C)S(C)(=O)=O)CC1
InChIInChI=1S/C21H25FN4O2S/c1-15-12-21-16(14-23-26(21)19-6-4-17(22)5-7-19)13-20(15)25-10-8-18(9-11-25)24(2)29(3,27)28/h4-7,12-14,18H,8-11H2,1-3H3
InChIKeyVEAXIKUZYIJHCH-UHFFFAOYSA-N
XLogP3.33
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide (CID 166916196) is N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC(N(C)S(C)(=O)=O)CC1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
The InChIKey is VEAXIKUZYIJHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25FN4O2S/c1-15-12-21-16(14-23-26(21)19-6-4-17(22)5-7-19)13-20(15)25-10-8-18(9-11-25)24(2)29(3,27)28/h4-7,12-14,18H,8-11H2,1-3H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide?
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-4-yl]-N-methylmethanesulfonamide has a molecular weight of 416.52 g/mol, XLogP of 3.33, 4 rotatable bonds, 0 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]piperidin-4-yl]-N-methylmethanesulfonamide is sourced from PubChem (CID 166916196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).