N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide

C18H21F4N5O3S — CID 155259020

IUPACN-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide
SMILESC[C@@H](C1CCN(C(=O)Nc2ccnc(F)c2)CC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C18H21F4N5O3S/c1-11(31(29,30)16-10-14(18(20,21)22)25-26(16)2)12-4-7-27(8-5-12)17(28)24-13-3-6-23-15(19)9-13/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,23,24,28)/t11-/m0/s1
InChIKeyHZGUFHTXOOWCTA-NSHDSACASA-N
MW463.46 g/mol
LogP3.08
Rot. Bonds4

About N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide

N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide (PubChem CID 155259020) has the molecular formula C18H21F4N5O3S and a molecular weight of 463.46 g/mol. Its IUPAC name is N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide
PubChem CID155259020
Molecular FormulaC18H21F4N5O3S
Molecular Weight463.46 g/mol
Exact Mass463.13
IUPAC NameN-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide
SMILESC[C@@H](C1CCN(C(=O)Nc2ccnc(F)c2)CC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C
InChIInChI=1S/C18H21F4N5O3S/c1-11(31(29,30)16-10-14(18(20,21)22)25-26(16)2)12-4-7-27(8-5-12)17(28)24-13-3-6-23-15(19)9-13/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,23,24,28)/t11-/m0/s1
InChIKeyHZGUFHTXOOWCTA-NSHDSACASA-N
XLogP3.08
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide 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

tert-butyl 4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxylate;hydrofluoride
CID 145127382
4-[1-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430677
4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfanyl-1-fluoroethyl]-N-(2-fluoro-4-pyridinyl)piperidine-1-carboxamide
CID 145127418
4-[difluoro-(3-fluorophenyl)sulfonylmethyl]-N-[2-(1-hydroxyethyl)-4-pyridinyl]piperidine-1-carboxamide
CID 139451750
[4-[(1S)-1-[3-(trifluoromethyl)phenyl]sulfonylethyl]piperidin-1-yl]-[3-(trifluoromethyl)-2-pyridinyl]methanone
CID 123288675
4-[2-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfanylpropan-2-yl]-N-(1,2-oxazol-3-yl)piperidine-1-carboxamide
CID 145127488
4-(propan-2-ylsulfonylamino)-N-[3-(trifluoromethyl)phenyl]piperidine-1-carboxamide
CID 20628883
N-(4-bromo-3-fluorophenyl)-4-(1-hydroxyethyl)piperidine-1-carboxamide
CID 111475420
4-pyridin-4-yl-N-[6-(trifluoromethyl)-3-pyridinyl]piperidine-1-carboxamide
CID 136536230
4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 122430388
N-(3,5-difluorophenyl)-4-[2-(2-methylpropanoylamino)ethyl]piperidine-1-carboxamide
CID 91903683
4-[(1S)-1-[[5-(3,3-difluoropropyl)-1H-pyrazol-4-yl]sulfonyl]-1-fluoroethyl]-N-[2-[(1S)-1-hydroxyethyl]-4-pyridinyl]piperidine-1-carboxamide
CID 139451744

Frequently Asked Questions

What is the IUPAC name of N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide?
The IUPAC name of N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide (CID 155259020) is N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide is C[C@@H](C1CCN(C(=O)Nc2ccnc(F)c2)CC1)S(=O)(=O)c1cc(C(F)(F)F)nn1C.
What is the InChIKey of N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide?
The InChIKey is HZGUFHTXOOWCTA-NSHDSACASA-N. The full InChI is InChI=1S/C18H21F4N5O3S/c1-11(31(29,30)16-10-14(18(20,21)22)25-26(16)2)12-4-7-27(8-5-12)17(28)24-13-3-6-23-15(19)9-13/h3,6,9-12H,4-5,7-8H2,1-2H3,(H,23,24,28)/t11-/m0/s1.
What are the key properties of N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide?
N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide has a molecular weight of 463.46 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluoro-4-pyridinyl)-4-[(1S)-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]piperidine-1-carboxamide is sourced from PubChem (CID 155259020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).