5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide

C20H24F3N5O4S — CID 147211854

IUPAC5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCn1cc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Cc3ccc(C(N)=O)nc3)CC2)c(C(F)F)n1
InChIInChI=1S/C20H24F3N5O4S/c1-20(23,33(31,32)15-11-27(2)26-17(15)18(21)22)13-5-7-28(8-6-13)16(29)9-12-3-4-14(19(24)30)25-10-12/h3-4,10-11,13,18H,5-9H2,1-2H3,(H2,24,30)/t20-/m1/s1
InChIKeyCFIUBADNGWHMSQ-HXUWFJFHSA-N
MW487.50 g/mol
LogP1.79
Rot. Bonds7

About 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide

5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide (PubChem CID 147211854) has the molecular formula C20H24F3N5O4S and a molecular weight of 487.50 g/mol. Its IUPAC name is 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
PubChem CID147211854
Molecular FormulaC20H24F3N5O4S
Molecular Weight487.50 g/mol
Exact Mass487.15
IUPAC Name5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide
SMILESCn1cc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Cc3ccc(C(N)=O)nc3)CC2)c(C(F)F)n1
InChIInChI=1S/C20H24F3N5O4S/c1-20(23,33(31,32)15-11-27(2)26-17(15)18(21)22)13-5-7-28(8-6-13)16(29)9-12-3-4-14(19(24)30)25-10-12/h3-4,10-11,13,18H,5-9H2,1-2H3,(H2,24,30)/t20-/m1/s1
InChIKeyCFIUBADNGWHMSQ-HXUWFJFHSA-N
XLogP1.79
TPSA128.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.50
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

Alvelestat
CID 46861623
N-[1-[4-(trifluoromethyl)phenyl]sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52935189
N-(4-(phenylsulfonyl)benzyl)-5-(pyridin-3-yl)-1H-pyrazole-3-carboxamide
CID 68277348
N-[[5-(1-propan-2-ylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 118160922
[2-(4,4-Difluoropiperidin-1-yl)-5-methylsulfonylphenyl]-[2-(2-methylpyridin-4-yl)-4,6-dihydropyrrolo[3,4-c]pyrazol-5-yl]methanone
CID 118478933
N-[(2S)-1-[(4-cyano-1,1-dioxothian-4-yl)amino]-1-oxo-3-pyridin-3-ylpropan-2-yl]-5-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]thiophene-2-carboxamide
CID 145969983
N-[1-(4-fluoro-3-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 51347211
N-[1-(3-fluoro-4-methylphenyl)sulfonylpyrazol-4-yl]pyridine-2-carboxamide
CID 52934973
N-[[5-(1-propylpyrazol-4-yl)sulfonyl-2-pyridinyl]methyl]-1H-pyrrolo[3,2-c]pyridine-2-carboxamide
CID 71726627
US9951086, Example 161
CID 118172541
US9951086, Example 225
CID 118172591
US9951086, Example 159
CID 118172957

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
The IUPAC name of 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide (CID 147211854) is 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
The canonical SMILES for 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide is Cn1cc(S(=O)(=O)[C@@](C)(F)C2CCN(C(=O)Cc3ccc(C(N)=O)nc3)CC2)c(C(F)F)n1.
What is the InChIKey of 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
The InChIKey is CFIUBADNGWHMSQ-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24F3N5O4S/c1-20(23,33(31,32)15-11-27(2)26-17(15)18(21)22)13-5-7-28(8-6-13)16(29)9-12-3-4-14(19(24)30)25-10-12/h3-4,10-11,13,18H,5-9H2,1-2H3,(H2,24,30)/t20-/m1/s1.
What are the key properties of 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide?
5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide has a molecular weight of 487.50 g/mol, XLogP of 1.79, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-[(1R)-1-[3-(difluoromethyl)-1-methylpyrazol-4-yl]sulfonyl-1-fluoroethyl]piperidin-1-yl]-2-oxoethyl]pyridine-2-carboxamide is sourced from PubChem (CID 147211854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).