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

C20H16FN5O2S — CID 7199754

IUPAC2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H16FN5O2S/c1-28-17-5-3-2-4-16(17)25-18(27)11-29-20-15-10-24-26(19(15)22-12-23-20)14-8-6-13(21)7-9-14/h2-10,12H,11H2,1H3,(H,25,27)
InChIKeyYBBGJKMFPDHRBW-UHFFFAOYSA-N
MW409.45 g/mol
LogP3.69
Rot. Bonds6

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

2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (PubChem CID 7199754) has the molecular formula C20H16FN5O2S and a molecular weight of 409.45 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
PubChem CID7199754
Molecular FormulaC20H16FN5O2S
Molecular Weight409.45 g/mol
Exact Mass409.10
IUPAC Name2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide
SMILESCOc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1
InChIInChI=1S/C20H16FN5O2S/c1-28-17-5-3-2-4-16(17)25-18(27)11-29-20-15-10-24-26(19(15)22-12-23-20)14-8-6-13(21)7-9-14/h2-10,12H,11H2,1H3,(H,25,27)
InChIKeyYBBGJKMFPDHRBW-UHFFFAOYSA-N
XLogP3.69
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.45
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The IUPAC name of 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide (CID 7199754) is 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The canonical SMILES for 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide is COc1ccccc1NC(=O)CSc1ncnc2c1cnn2-c1ccc(F)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
The InChIKey is YBBGJKMFPDHRBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN5O2S/c1-28-17-5-3-2-4-16(17)25-18(27)11-29-20-15-10-24-26(19(15)22-12-23-20)14-8-6-13(21)7-9-14/h2-10,12H,11H2,1H3,(H,25,27).
What are the key properties of 2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide?
2-[1-(4-fluorophenyl)pyrazolo[5,4-d]pyrimidin-4-yl]sulfanyl-N-(2-methoxyphenyl)acetamide has a molecular weight of 409.45 g/mol, XLogP of 3.69, 6 rotatable bonds, 1 hydrogen bond donors, and 7 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-(2-methoxyphenyl)acetamide is sourced from PubChem (CID 7199754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).