2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide

C16H16FN5OS — CID 18561807

IUPAC2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C16H16FN5OS/c1-2-7-18-14(23)9-24-16-13-8-21-22(15(13)19-10-20-16)12-5-3-11(17)4-6-12/h3-6,8,10H,2,7,9H2,1H3,(H,18,23)
InChIKeyHTXBTQNIMSQIIQ-UHFFFAOYSA-N
MW345.40 g/mol
LogP2.57
Rot. Bonds6

About 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide

2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide (PubChem CID 18561807) has the molecular formula C16H16FN5OS and a molecular weight of 345.40 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide
PubChem CID18561807
Molecular FormulaC16H16FN5OS
Molecular Weight345.40 g/mol
Exact Mass345.11
IUPAC Name2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide
SMILESCCCNC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C16H16FN5OS/c1-2-7-18-14(23)9-24-16-13-8-21-22(15(13)19-10-20-16)12-5-3-11(17)4-6-12/h3-6,8,10H,2,7,9H2,1H3,(H,18,23)
InChIKeyHTXBTQNIMSQIIQ-UHFFFAOYSA-N
XLogP2.57
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.40
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 46693282
N-[(4-fluorophenyl)methyl]-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 2653470
methyl 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetate
CID 7199813
N-(2,5-dimethylphenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 7199741
ethyl 4-[2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetyl]piperazine-1-carboxylate
CID 18561783
ethyl (2S)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylbutanoate
CID 7199818
N-(2,4-dimethoxyphenyl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 18561790
N-[1-(3-chlorophenyl)ethyl]-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylacetamide
CID 16603785
1-(4-fluorophenyl)-4-methylsulfanylpyrazolo[5,4-d]pyrimidine
CID 17456265
1-(2,5-dimethyl-1H-pyrrol-3-yl)-2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanylethanone
CID 24623038
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methylpropyl)propanamide
CID 24601298
N-(2,6-difluorophenyl)-2-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 16507697

Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide (CID 18561807) is 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide is CCCNC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide?
The InChIKey is HTXBTQNIMSQIIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5OS/c1-2-7-18-14(23)9-24-16-13-8-21-22(15(13)19-10-20-16)12-5-3-11(17)4-6-12/h3-6,8,10H,2,7,9H2,1H3,(H,18,23).
What are the key properties of 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide?
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide has a molecular weight of 345.40 g/mol, XLogP of 2.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-propylacetamide is sourced from PubChem (CID 18561807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).