2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

C16H18FN3OS — CID 91629653

IUPAC2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C16H18FN3OS/c17-13-4-6-14(7-5-13)22-11-16(21)18-9-12-10-19-20-8-2-1-3-15(12)20/h4-7,10H,1-3,8-9,11H2,(H,18,21)
InChIKeyXSTDLFXSPBBGMD-UHFFFAOYSA-N
MW319.40 g/mol
LogP2.77
Rot. Bonds5

About 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide

2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide (PubChem CID 91629653) has the molecular formula C16H18FN3OS and a molecular weight of 319.40 g/mol. Its IUPAC name is 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
PubChem CID91629653
Molecular FormulaC16H18FN3OS
Molecular Weight319.40 g/mol
Exact Mass319.12
IUPAC Name2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide
SMILESO=C(CSc1ccc(F)cc1)NCc1cnn2c1CCCC2
InChIInChI=1S/C16H18FN3OS/c17-13-4-6-14(7-5-13)22-11-16(21)18-9-12-10-19-20-8-2-1-3-15(12)20/h4-7,10H,1-3,8-9,11H2,(H,18,21)
InChIKeyXSTDLFXSPBBGMD-UHFFFAOYSA-N
XLogP2.77
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
The IUPAC name of 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide (CID 91629653) is 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
The canonical SMILES for 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide is O=C(CSc1ccc(F)cc1)NCc1cnn2c1CCCC2.
What is the InChIKey of 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
The InChIKey is XSTDLFXSPBBGMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3OS/c17-13-4-6-14(7-5-13)22-11-16(21)18-9-12-10-19-20-8-2-1-3-15(12)20/h4-7,10H,1-3,8-9,11H2,(H,18,21).
What are the key properties of 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide?
2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide has a molecular weight of 319.40 g/mol, XLogP of 2.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)sulfanyl-N-(4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-3-ylmethyl)acetamide is sourced from PubChem (CID 91629653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).