4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide

C20H27F2N5O3S — CID 122430388

IUPAC4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(C)(C)S(=O)(=O)c3cc(C(F)F)nn3C)CC2)cn1
InChIInChI=1S/C20H27F2N5O3S/c1-13-5-6-15(12-23-13)24-19(28)27-9-7-14(8-10-27)20(2,3)31(29,30)17-11-16(18(21)22)25-26(17)4/h5-6,11-12,14,18H,7-10H2,1-4H3,(H,24,28)
InChIKeyAXUVPNLWSXOWND-UHFFFAOYSA-N
MW455.53 g/mol
LogP3.56
Rot. Bonds5

About 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide

4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide (PubChem CID 122430388) has the molecular formula C20H27F2N5O3S and a molecular weight of 455.53 g/mol. Its IUPAC name is 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
PubChem CID122430388
Molecular FormulaC20H27F2N5O3S
Molecular Weight455.53 g/mol
Exact Mass455.18
IUPAC Name4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
SMILESCc1ccc(NC(=O)N2CCC(C(C)(C)S(=O)(=O)c3cc(C(F)F)nn3C)CC2)cn1
InChIInChI=1S/C20H27F2N5O3S/c1-13-5-6-15(12-23-13)24-19(28)27-9-7-14(8-10-27)20(2,3)31(29,30)17-11-16(18(21)22)25-26(17)4/h5-6,11-12,14,18H,7-10H2,1-4H3,(H,24,28)
InChIKeyAXUVPNLWSXOWND-UHFFFAOYSA-N
XLogP3.56
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.53
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[1-fluoro-1-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]sulfonylethyl]-N-(6-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430677
4-[2-(2,5-dimethylpyrazol-3-yl)sulfonylpropan-2-yl]-N-(thiadiazol-5-yl)piperidine-1-carboxamide
CID 122430426
4-methyl-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide
CID 115742442
4-[2-(1-methylpyrrol-2-yl)sulfonylpropan-2-yl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 134368515
N-(6-cyano-3-pyridinyl)-4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidine-1-carboxamide
CID 122484415
N-(6-cyano-3-pyridinyl)-4-[(1R)-1-fluoro-1-(3-fluorophenyl)sulfonylethyl]piperidine-1-carboxamide
CID 122430747
N-(6-cyano-3-pyridinyl)-4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfanyl-1-fluoroethyl]piperidine-1-carboxamide
CID 145127521
4-[2-(3-fluorophenyl)sulfonylpropan-2-yl]-N-(5-fluoro-3-pyridinyl)piperidine-1-carboxamide
CID 122430795
N-(4-fluorophenyl)-4-[(6-methyl-3-pyridinyl)oxy]piperidine-1-carboxamide
CID 90566506
4-[1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]-N-(1H-pyrazol-4-yl)piperidine-1-carboxamide
CID 122484400
4-[difluoro-(1-methylindazol-4-yl)sulfonylmethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122430260
4-[1-[[6-(difluoromethoxy)-3-pyridinyl]sulfonyl]-1-fluoroethyl]-N-pyridazin-4-ylpiperidine-1-carboxamide
CID 122424247

Frequently Asked Questions

What is the IUPAC name of 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide?
The IUPAC name of 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide (CID 122430388) is 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide.
What is the SMILES notation for 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide?
The canonical SMILES for 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide is Cc1ccc(NC(=O)N2CCC(C(C)(C)S(=O)(=O)c3cc(C(F)F)nn3C)CC2)cn1.
What is the InChIKey of 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide?
The InChIKey is AXUVPNLWSXOWND-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27F2N5O3S/c1-13-5-6-15(12-23-13)24-19(28)27-9-7-14(8-10-27)20(2,3)31(29,30)17-11-16(18(21)22)25-26(17)4/h5-6,11-12,14,18H,7-10H2,1-4H3,(H,24,28).
What are the key properties of 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide?
4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide has a molecular weight of 455.53 g/mol, XLogP of 3.56, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[3-(difluoromethyl)-1-methylpyrazol-5-yl]sulfonylpropan-2-yl]-N-(6-methyl-3-pyridinyl)piperidine-1-carboxamide is sourced from PubChem (CID 122430388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).