2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide

C21H17FN4OS — CID 91630348

IUPAC2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C21H17FN4OS/c22-18-5-3-16(4-6-18)17-12-25-26(13-17)14-21(27)24-11-15-7-8-23-19(10-15)20-2-1-9-28-20/h1-10,12-13H,11,14H2,(H,24,27)
InChIKeyNGSIJIJTDXTZPQ-UHFFFAOYSA-N
MW392.46 g/mol
LogP4.13
Rot. Bonds6

About 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide

2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide (PubChem CID 91630348) has the molecular formula C21H17FN4OS and a molecular weight of 392.46 g/mol. Its IUPAC name is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide.

Molecular Properties

Compound Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
PubChem CID91630348
Molecular FormulaC21H17FN4OS
Molecular Weight392.46 g/mol
Exact Mass392.11
IUPAC Name2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
SMILESO=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccnc(-c2cccs2)c1
InChIInChI=1S/C21H17FN4OS/c22-18-5-3-16(4-6-18)17-12-25-26(13-17)14-21(27)24-11-15-7-8-23-19(10-15)20-2-1-9-28-20/h1-10,12-13H,11,14H2,(H,24,27)
InChIKeyNGSIJIJTDXTZPQ-UHFFFAOYSA-N
XLogP4.13
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-chlorophenyl)-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide
CID 91630326
N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]-5-thiophen-2-yl-1H-pyrazole-3-carboxamide
CID 122245898
N-[(2-thiophen-2-yl-4-pyridinyl)methyl]furan-2-carboxamide
CID 91630312
1-benzhydryl-3-[(2-thiophen-2-yl-4-pyridinyl)methyl]urea
CID 91630384
4-oxo-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]chromene-2-carboxamide
CID 91630333
N-[(2-thiophen-2-yl-4-pyridinyl)methyl]naphthalene-1-sulfonamide
CID 91817222
1-(4-fluorophenyl)-N-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]methyl]cyclopropane-1-carboxamide
CID 122245906
N-[(2-pyridin-4-yl-4-pyridinyl)methyl]-2-pyrrol-1-ylacetamide
CID 119100867
6-bromo-2-methyl-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]indazole-3-carboxamide
CID 91630343
N-[(3-fluorophenyl)methyl]-2-(4-oxo-2-thiophen-2-ylpyrazolo[1,5-d][1,2,4]triazin-5-yl)acetamide
CID 22513250
2-(5-amino-6-oxo-3-thiophen-2-ylpyridazin-1-yl)-N-[(3-fluorophenyl)methyl]acetamide
CID 16676551
N-[(4-ethylphenyl)methyl]-2-thiophen-2-ylpyridine-4-carboxamide
CID 53119711

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The IUPAC name of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide (CID 91630348) is 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide.
What is the SMILES notation for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The canonical SMILES for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide is O=C(Cn1cc(-c2ccc(F)cc2)cn1)NCc1ccnc(-c2cccs2)c1.
What is the InChIKey of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
The InChIKey is NGSIJIJTDXTZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4OS/c22-18-5-3-16(4-6-18)17-12-25-26(13-17)14-21(27)24-11-15-7-8-23-19(10-15)20-2-1-9-28-20/h1-10,12-13H,11,14H2,(H,24,27).
What are the key properties of 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide?
2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide has a molecular weight of 392.46 g/mol, XLogP of 4.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-fluorophenyl)pyrazol-1-yl]-N-[(2-thiophen-2-yl-4-pyridinyl)methyl]acetamide is sourced from PubChem (CID 91630348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).