4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine

C14H12F2N4OS — CID 17463934

IUPAC4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(SCc3ccccc3OC(F)F)ncnc21
InChIInChI=1S/C14H12F2N4OS/c1-20-12-10(6-19-20)13(18-8-17-12)22-7-9-4-2-3-5-11(9)21-14(15)16/h2-6,8,14H,7H2,1H3
InChIKeyRZLZWVIHUMSNNI-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.26
Rot. Bonds5

About 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine

4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine (PubChem CID 17463934) has the molecular formula C14H12F2N4OS and a molecular weight of 322.34 g/mol. Its IUPAC name is 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine.

Molecular Properties

Compound Name4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine
PubChem CID17463934
Molecular FormulaC14H12F2N4OS
Molecular Weight322.34 g/mol
Exact Mass322.07
IUPAC Name4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine
SMILESCn1ncc2c(SCc3ccccc3OC(F)F)ncnc21
InChIInChI=1S/C14H12F2N4OS/c1-20-12-10(6-19-20)13(18-8-17-12)22-7-9-4-2-3-5-11(9)21-14(15)16/h2-6,8,14H,7H2,1H3
InChIKeyRZLZWVIHUMSNNI-UHFFFAOYSA-N
XLogP3.26
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine?
The IUPAC name of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine (CID 17463934) is 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine.
What is the SMILES notation for 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine?
The canonical SMILES for 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine is Cn1ncc2c(SCc3ccccc3OC(F)F)ncnc21.
What is the InChIKey of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine?
The InChIKey is RZLZWVIHUMSNNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12F2N4OS/c1-20-12-10(6-19-20)13(18-8-17-12)22-7-9-4-2-3-5-11(9)21-14(15)16/h2-6,8,14H,7H2,1H3.
What are the key properties of 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine?
4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine has a molecular weight of 322.34 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-1-methylpyrazolo[5,4-d]pyrimidine is sourced from PubChem (CID 17463934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).