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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-N-(2-methoxy-4-methylsulfonylphenyl)-4-N-methyl-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648808
4-N-ethyl-2-N-(2-methoxy-4-methylsulfonylphenyl)-5-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 154648688
N-ethyl-2-methoxy-4-methylsulfonylaniline
CID 170597285
1-[3-methoxy-4-[[4-(2-methylsulfonylanilino)-1H-pyrazolo[5,4-d]pyrimidin-6-yl]amino]phenyl]piperidin-4-ol
CID 25226480
6-N-(2-ethoxy-4-morpholin-4-ylphenyl)-4-N-(2-methylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 25226479
4-(cyclohexylamino)-2-(2-methoxy-4-methylsulfonylanilino)-7H-pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 154649051
[4-[(4-ethoxy-7H-pyrrolo[2,3-d]pyrimidin-2-yl)amino]-3-methoxyphenyl]-[5-(hydroxymethyl)-3-azabicyclo[3.1.0]hex-1(6)-en-3-yl]methanone
CID 137418213
[4-[[4-ethoxy-7-(4-methylphenyl)sulfonylpyrrolo[2,3-d]pyrimidin-2-yl]amino]-3-methoxyphenyl]-(4-methylpiperazin-1-yl)methanone
CID 118286437
2-N-(2-methoxy-4-methylsulfonylphenyl)-5-methyl-4-N-(oxan-4-yl)-7H-pyrrolo[2,3-d]pyrimidine-2,4-diamine
CID 165046262
N-(3,4-dimethoxyphenyl)-7-methylsulfonyl-3H-pyrazolo[5,4-c]quinolin-4-amine
CID 90103116
4-(2-cyclopropylethoxy)-N-ethyl-1H-pyrazolo[5,4-d]pyrimidin-6-amine
CID 114158228
6-N-[2-methoxy-4-(4-methylpiperazin-1-yl)phenyl]-4-N-(2-propan-2-ylsulfonylphenyl)-1H-pyrazolo[5,4-d]pyrimidine-4,6-diamine
CID 25226300

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).