N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide

C24H27FN6O2S — CID 163625857

IUPACN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCCC(N(C)S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C24H27FN6O2S/c1-17-11-24-18(13-27-31(24)20-8-6-19(25)7-9-20)12-23(17)30-10-4-5-21(15-30)29(3)34(32,33)22-14-26-28(2)16-22/h6-9,11-14,16,21H,4-5,10,15H2,1-3H3
InChIKeyHRYFQGDLCCFVHT-UHFFFAOYSA-N
MW482.59 g/mol
LogP3.50
Rot. Bonds5

About N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide

N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 163625857) has the molecular formula C24H27FN6O2S and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID163625857
Molecular FormulaC24H27FN6O2S
Molecular Weight482.59 g/mol
Exact Mass482.19
IUPAC NameN-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCCC(N(C)S(=O)(=O)c2cnn(C)c2)C1
InChIInChI=1S/C24H27FN6O2S/c1-17-11-24-18(13-27-31(24)20-8-6-19(25)7-9-20)12-23(17)30-10-4-5-21(15-30)29(3)34(32,33)22-14-26-28(2)16-22/h6-9,11-14,16,21H,4-5,10,15H2,1-3H3
InChIKeyHRYFQGDLCCFVHT-UHFFFAOYSA-N
XLogP3.50
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.59
LogP ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide 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-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide (CID 163625857) is N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCCC(N(C)S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is HRYFQGDLCCFVHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN6O2S/c1-17-11-24-18(13-27-31(24)20-8-6-19(25)7-9-20)12-23(17)30-10-4-5-21(15-30)29(3)34(32,33)22-14-26-28(2)16-22/h6-9,11-14,16,21H,4-5,10,15H2,1-3H3.
What are the key properties of N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide has a molecular weight of 482.59 g/mol, XLogP of 3.50, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 163625857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).