N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide

C22H23FN4OS — CID 90555989

IUPACN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C22H23FN4OS/c23-16-8-10-19(11-9-16)29-15-22(28)25-14-17-13-21(20-7-3-4-12-24-20)27(26-17)18-5-1-2-6-18/h3-4,7-13,18H,1-2,5-6,14-15H2,(H,25,28)
InChIKeyAWHJHQAQLDRQTG-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.61
Rot. Bonds7

About N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide

N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide (PubChem CID 90555989) has the molecular formula C22H23FN4OS and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide.

Molecular Properties

Compound NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
PubChem CID90555989
Molecular FormulaC22H23FN4OS
Molecular Weight410.52 g/mol
Exact Mass410.16
IUPAC NameN-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide
SMILESO=C(CSc1ccc(F)cc1)NCc1cc(-c2ccccn2)n(C2CCCC2)n1
InChIInChI=1S/C22H23FN4OS/c23-16-8-10-19(11-9-16)29-15-22(28)25-14-17-13-21(20-7-3-4-12-24-20)27(26-17)18-5-1-2-6-18/h3-4,7-13,18H,1-2,5-6,14-15H2,(H,25,28)
InChIKeyAWHJHQAQLDRQTG-UHFFFAOYSA-N
XLogP4.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
The IUPAC name of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide (CID 90555989) is N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide.
What is the SMILES notation for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
The canonical SMILES for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide is O=C(CSc1ccc(F)cc1)NCc1cc(-c2ccccn2)n(C2CCCC2)n1.
What is the InChIKey of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
The InChIKey is AWHJHQAQLDRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23FN4OS/c23-16-8-10-19(11-9-16)29-15-22(28)25-14-17-13-21(20-7-3-4-12-24-20)27(26-17)18-5-1-2-6-18/h3-4,7-13,18H,1-2,5-6,14-15H2,(H,25,28).
What are the key properties of N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide?
N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide has a molecular weight of 410.52 g/mol, XLogP of 4.61, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-cyclopentyl-5-pyridin-2-ylpyrazol-3-yl)methyl]-2-(4-fluorophenyl)sulfanylacetamide is sourced from PubChem (CID 90555989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).