N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide

C18H21F3N6O2S — CID 171918672

IUPACN-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn([C@H]4CCCN(CC(F)(F)F)C4)c3)c21
InChIInChI=1S/C18H21F3N6O2S/c1-25-17-13(8-22-25)4-2-6-16(17)24-30(28,29)15-9-23-27(11-15)14-5-3-7-26(10-14)12-18(19,20)21/h2,4,6,8-9,11,14,24H,3,5,7,10,12H2,1H3/t14-/m0/s1
InChIKeyVFGOQGLKANPOOZ-AWEZNQCLSA-N
MW442.47 g/mol
LogP2.77
Rot. Bonds5

About N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide

N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide (PubChem CID 171918672) has the molecular formula C18H21F3N6O2S and a molecular weight of 442.47 g/mol. Its IUPAC name is N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide.

Molecular Properties

Compound NameN-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
PubChem CID171918672
Molecular FormulaC18H21F3N6O2S
Molecular Weight442.47 g/mol
Exact Mass442.14
IUPAC NameN-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide
SMILESCn1ncc2cccc(NS(=O)(=O)c3cnn([C@H]4CCCN(CC(F)(F)F)C4)c3)c21
InChIInChI=1S/C18H21F3N6O2S/c1-25-17-13(8-22-25)4-2-6-16(17)24-30(28,29)15-9-23-27(11-15)14-5-3-7-26(10-14)12-18(19,20)21/h2,4,6,8-9,11,14,24H,3,5,7,10,12H2,1H3/t14-/m0/s1
InChIKeyVFGOQGLKANPOOZ-AWEZNQCLSA-N
XLogP2.77
TPSA85.05 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.47
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-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

Related Compounds

1-cyclopentyl-N-[(2S)-1-[[1-(4-fluorophenyl)indazol-4-yl]amino]propan-2-yl]-3,5-dimethylpyrazole-4-sulfonamide
CID 16665449
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 124
CID 163625856
US11787780, Example 127
CID 163625857
US11787780, Example 40
CID 163652456
US11787780, Example 5
CID 163693397
US11787780, Example 125
CID 163768120
US11787780, Example 128
CID 163768121
US11787780, Example 39
CID 163865683
US11787780, Example 4
CID 163875563
US11787780, Example 37
CID 164041519

Frequently Asked Questions

What is the IUPAC name of N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The IUPAC name of N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide (CID 171918672) is N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide.
What is the SMILES notation for N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The canonical SMILES for N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide is Cn1ncc2cccc(NS(=O)(=O)c3cnn([C@H]4CCCN(CC(F)(F)F)C4)c3)c21.
What is the InChIKey of N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
The InChIKey is VFGOQGLKANPOOZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H21F3N6O2S/c1-25-17-13(8-22-25)4-2-6-16(17)24-30(28,29)15-9-23-27(11-15)14-5-3-7-26(10-14)12-18(19,20)21/h2,4,6,8-9,11,14,24H,3,5,7,10,12H2,1H3/t14-/m0/s1.
What are the key properties of N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide?
N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide has a molecular weight of 442.47 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylindazol-7-yl)-1-[(3S)-1-(2,2,2-trifluoroethyl)piperidin-3-yl]pyrazole-4-sulfonamide is sourced from PubChem (CID 171918672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).