4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

C15H17N5O4S — CID 164806062

IUPAC4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCOc1nc(Nc2ccc(S(C)(=O)=O)cc2OC)nc2[nH]ncc12
InChIInChI=1S/C15H17N5O4S/c1-4-24-14-10-8-16-20-13(10)18-15(19-14)17-11-6-5-9(25(3,21)22)7-12(11)23-2/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyPOESODYRQOOMQM-UHFFFAOYSA-N
MW363.40 g/mol
LogP1.91
Rot. Bonds6

About 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine

4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (PubChem CID 164806062) has the molecular formula C15H17N5O4S and a molecular weight of 363.40 g/mol. Its IUPAC name is 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.

Molecular Properties

Compound Name4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
PubChem CID164806062
Molecular FormulaC15H17N5O4S
Molecular Weight363.40 g/mol
Exact Mass363.10
IUPAC Name4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine
SMILESCCOc1nc(Nc2ccc(S(C)(=O)=O)cc2OC)nc2[nH]ncc12
InChIInChI=1S/C15H17N5O4S/c1-4-24-14-10-8-16-20-13(10)18-15(19-14)17-11-6-5-9(25(3,21)22)7-12(11)23-2/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20)
InChIKeyPOESODYRQOOMQM-UHFFFAOYSA-N
XLogP1.91
TPSA119.09 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The IUPAC name of 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine (CID 164806062) is 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine.
What is the SMILES notation for 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The canonical SMILES for 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is CCOc1nc(Nc2ccc(S(C)(=O)=O)cc2OC)nc2[nH]ncc12.
What is the InChIKey of 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
The InChIKey is POESODYRQOOMQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5O4S/c1-4-24-14-10-8-16-20-13(10)18-15(19-14)17-11-6-5-9(25(3,21)22)7-12(11)23-2/h5-8H,4H2,1-3H3,(H2,16,17,18,19,20).
What are the key properties of 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine?
4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine has a molecular weight of 363.40 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-(2-methoxy-4-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidin-6-amine is sourced from PubChem (CID 164806062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).