4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

C20H27N7OS — CID 135128205

IUPAC4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3cnn(C4CCCNC4)c3)nc3ccsc23)CC1
InChIInChI=1S/C20H27N7OS/c28-16-5-3-13(4-6-16)23-19-18-17(7-9-29-18)25-20(26-19)24-14-10-22-27(12-14)15-2-1-8-21-11-15/h7,9-10,12-13,15-16,21,28H,1-6,8,11H2,(H2,23,24,25,26)
InChIKeyUEMDJADYLYGIPL-UHFFFAOYSA-N
MW413.55 g/mol
LogP3.27
Rot. Bonds5

About 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol

4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (PubChem CID 135128205) has the molecular formula C20H27N7OS and a molecular weight of 413.55 g/mol. Its IUPAC name is 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
PubChem CID135128205
Molecular FormulaC20H27N7OS
Molecular Weight413.55 g/mol
Exact Mass413.20
IUPAC Name4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol
SMILESOC1CCC(Nc2nc(Nc3cnn(C4CCCNC4)c3)nc3ccsc23)CC1
InChIInChI=1S/C20H27N7OS/c28-16-5-3-13(4-6-16)23-19-18-17(7-9-29-18)25-20(26-19)24-14-10-22-27(12-14)15-2-1-8-21-11-15/h7,9-10,12-13,15-16,21,28H,1-6,8,11H2,(H2,23,24,25,26)
InChIKeyUEMDJADYLYGIPL-UHFFFAOYSA-N
XLogP3.27
TPSA99.92 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.55
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol 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 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol (CID 135128205) is 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is OC1CCC(Nc2nc(Nc3cnn(C4CCCNC4)c3)nc3ccsc23)CC1.
What is the InChIKey of 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
The InChIKey is UEMDJADYLYGIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N7OS/c28-16-5-3-13(4-6-16)23-19-18-17(7-9-29-18)25-20(26-19)24-14-10-22-27(12-14)15-2-1-8-21-11-15/h7,9-10,12-13,15-16,21,28H,1-6,8,11H2,(H2,23,24,25,26).
What are the key properties of 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol?
4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol has a molecular weight of 413.55 g/mol, XLogP of 3.27, 5 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-[(1-piperidin-3-ylpyrazol-4-yl)amino]thieno[3,2-d]pyrimidin-4-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 135128205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).