2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol

C20H21N5O4S2 — CID 126495567

IUPAC2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12
InChIInChI=1S/C20H21N5O4S2/c1-12-18(15-5-4-14(31(3,27)28)8-16(15)29-2)19-17(30-12)10-21-20(24-19)23-13-9-22-25(11-13)6-7-26/h4-5,8-11,26H,6-7H2,1-3H3,(H,21,23,24)
InChIKeyIGNYLYTVGUUEGN-UHFFFAOYSA-N
MW459.55 g/mol
LogP3.01
Rot. Bonds7

About 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol

2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol (PubChem CID 126495567) has the molecular formula C20H21N5O4S2 and a molecular weight of 459.55 g/mol. Its IUPAC name is 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
PubChem CID126495567
Molecular FormulaC20H21N5O4S2
Molecular Weight459.55 g/mol
Exact Mass459.10
IUPAC Name2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol
SMILESCOc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12
InChIInChI=1S/C20H21N5O4S2/c1-12-18(15-5-4-14(31(3,27)28)8-16(15)29-2)19-17(30-12)10-21-20(24-19)23-13-9-22-25(11-13)6-7-26/h4-5,8-11,26H,6-7H2,1-3H3,(H,21,23,24)
InChIKeyIGNYLYTVGUUEGN-UHFFFAOYSA-N
XLogP3.01
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.55
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol (CID 126495567) is 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol is COc1cc(S(C)(=O)=O)ccc1-c1c(C)sc2cnc(Nc3cnn(CCO)c3)nc12.
What is the InChIKey of 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?
The InChIKey is IGNYLYTVGUUEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O4S2/c1-12-18(15-5-4-14(31(3,27)28)8-16(15)29-2)19-17(30-12)10-21-20(24-19)23-13-9-22-25(11-13)6-7-26/h4-5,8-11,26H,6-7H2,1-3H3,(H,21,23,24).
What are the key properties of 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol?
2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol has a molecular weight of 459.55 g/mol, XLogP of 3.01, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[7-(2-methoxy-4-methylsulfonylphenyl)-6-methylthieno[3,2-d]pyrimidin-2-yl]amino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 126495567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).