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

C24H27FN6O2S — CID 163625856

IUPACN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC[C@H](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/t21-/m0/s1
InChIKeyHRYFQGDLCCFVHT-NRFANRHFSA-N
MW482.59 g/mol
LogP3.50
Rot. Bonds5

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

N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide (PubChem CID 163625856) has the molecular formula C24H27FN6O2S and a molecular weight of 482.59 g/mol. Its IUPAC name is N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
PubChem CID163625856
Molecular FormulaC24H27FN6O2S
Molecular Weight482.59 g/mol
Exact Mass482.19
IUPAC NameN-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide
SMILESCc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC[C@H](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/t21-/m0/s1
InChIKeyHRYFQGDLCCFVHT-NRFANRHFSA-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-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide with MolForge

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Related Compounds

1-cyclopentyl-N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665449
N-[(3S)-1-[1-(4-fluorophenyl)indazol-4-yl]pyrrolidin-3-yl]-2,4,6-trimethylbenzenesulfonamide
CID 24816319
3-[5-(cyclohexylamino)-6-(1-methylpyrazol-4-yl)-1H-indazol-3-yl]benzenesulfonamide
CID 54675539
1-cyclopentyl-N-[(2S)-1-[[1-(6-fluoro-3-pyridinyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 57690900
US11787780, Example 117
CID 163429989
US11787780, Example 33
CID 163454585
US11787780, Example 15
CID 163475853
US11787780, Example 13
CID 163518189
US11787780, Example 12
CID 163518190
US11787780, Example 6
CID 163619812
US11787780, Example 127
CID 163625857
US11787780, Example 40
CID 163652456

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The IUPAC name of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide (CID 163625856) is N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide is Cc1cc2c(cnn2-c2ccc(F)cc2)cc1N1CCC[C@H](N(C)S(=O)(=O)c2cnn(C)c2)C1.
What is the InChIKey of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
The InChIKey is HRYFQGDLCCFVHT-NRFANRHFSA-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/t21-/m0/s1.
What are the key properties of N-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide?
N-[(3S)-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-[(3S)-1-[1-(4-fluorophenyl)-6-methylindazol-5-yl]piperidin-3-yl]-N,1-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 163625856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).