2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide

C22H24FN5O3S — CID 59529794

IUPAC2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(NC(=O)c3ccccc3F)c3ccccn3)CC2)c1
InChIInChI=1S/C22H24FN5O3S/c1-27-14-20(25-15-27)32(30,31)28-12-9-16(10-13-28)21(19-8-4-5-11-24-19)26-22(29)17-6-2-3-7-18(17)23/h2-8,11,14-16,21H,9-10,12-13H2,1H3,(H,26,29)
InChIKeyNYBSTQHFDGFXSG-UHFFFAOYSA-N
MW457.53 g/mol
LogP2.53
Rot. Bonds6

About 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide

2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide (PubChem CID 59529794) has the molecular formula C22H24FN5O3S and a molecular weight of 457.53 g/mol. Its IUPAC name is 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide
PubChem CID59529794
Molecular FormulaC22H24FN5O3S
Molecular Weight457.53 g/mol
Exact Mass457.16
IUPAC Name2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide
SMILESCn1cnc(S(=O)(=O)N2CCC(C(NC(=O)c3ccccc3F)c3ccccn3)CC2)c1
InChIInChI=1S/C22H24FN5O3S/c1-27-14-20(25-15-27)32(30,31)28-12-9-16(10-13-28)21(19-8-4-5-11-24-19)26-22(29)17-6-2-3-7-18(17)23/h2-8,11,14-16,21H,9-10,12-13H2,1H3,(H,26,29)
InChIKeyNYBSTQHFDGFXSG-UHFFFAOYSA-N
XLogP2.53
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.53
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
The IUPAC name of 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide (CID 59529794) is 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide.
What is the SMILES notation for 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
The canonical SMILES for 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide is Cn1cnc(S(=O)(=O)N2CCC(C(NC(=O)c3ccccc3F)c3ccccn3)CC2)c1.
What is the InChIKey of 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
The InChIKey is NYBSTQHFDGFXSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O3S/c1-27-14-20(25-15-27)32(30,31)28-12-9-16(10-13-28)21(19-8-4-5-11-24-19)26-22(29)17-6-2-3-7-18(17)23/h2-8,11,14-16,21H,9-10,12-13H2,1H3,(H,26,29).
What are the key properties of 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide?
2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide has a molecular weight of 457.53 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[[1-(1-methylimidazol-4-yl)sulfonylpiperidin-4-yl]-pyridin-2-ylmethyl]benzamide is sourced from PubChem (CID 59529794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).