N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide

C22H19FN4O2S — CID 50804477

IUPACN-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cnn3c(SCC(=O)Nc4ccccc4F)cc(C)nc23)cc1
InChIInChI=1S/C22H19FN4O2S/c1-14-11-21(30-13-20(28)26-19-6-4-3-5-18(19)23)27-22(25-14)17(12-24-27)15-7-9-16(29-2)10-8-15/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyHQSCISXONCFYQG-UHFFFAOYSA-N
MW422.49 g/mol
LogP4.58
Rot. Bonds6

About N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide

N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide (PubChem CID 50804477) has the molecular formula C22H19FN4O2S and a molecular weight of 422.49 g/mol. Its IUPAC name is N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
PubChem CID50804477
Molecular FormulaC22H19FN4O2S
Molecular Weight422.49 g/mol
Exact Mass422.12
IUPAC NameN-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
SMILESCOc1ccc(-c2cnn3c(SCC(=O)Nc4ccccc4F)cc(C)nc23)cc1
InChIInChI=1S/C22H19FN4O2S/c1-14-11-21(30-13-20(28)26-19-6-4-3-5-18(19)23)27-22(25-14)17(12-24-27)15-7-9-16(29-2)10-8-15/h3-12H,13H2,1-2H3,(H,26,28)
InChIKeyHQSCISXONCFYQG-UHFFFAOYSA-N
XLogP4.58
TPSA68.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.49
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2-methoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 50804378
N-[(2R)-butan-2-yl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 92893191
N-cyclopentyl-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 50804416
N-[(3-chlorophenyl)methyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 46358756
N-[(4-ethoxyphenyl)methyl]-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 50804537
N-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 1160644
2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(1-phenylethyl)acetamide
CID 50804369
N-butyl-2-[3-(4-fluorophenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide
CID 50804374
N-(2-fluorophenyl)-2-[[5-(4-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 2042704
2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-[(4-methylphenyl)methyl]acetamide
CID 50804236
2-[3-(3,4-dimethoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanyl-N-(thiophen-2-ylmethyl)acetamide
CID 46358739
2-(4-amino-6-methylpyrimidin-2-yl)sulfanyl-N-(2-fluorophenyl)acetamide
CID 40663166

Frequently Asked Questions

What is the IUPAC name of N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide?
The IUPAC name of N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide (CID 50804477) is N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide.
What is the SMILES notation for N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide?
The canonical SMILES for N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide is COc1ccc(-c2cnn3c(SCC(=O)Nc4ccccc4F)cc(C)nc23)cc1.
What is the InChIKey of N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide?
The InChIKey is HQSCISXONCFYQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O2S/c1-14-11-21(30-13-20(28)26-19-6-4-3-5-18(19)23)27-22(25-14)17(12-24-27)15-7-9-16(29-2)10-8-15/h3-12H,13H2,1-2H3,(H,26,28).
What are the key properties of N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide?
N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide has a molecular weight of 422.49 g/mol, XLogP of 4.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-fluorophenyl)-2-[3-(4-methoxyphenyl)-5-methylpyrazolo[1,5-a]pyrimidin-7-yl]sulfanylacetamide is sourced from PubChem (CID 50804477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).