4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

C20H25N5O4S — CID 59743400

IUPAC4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCS(=O)(=O)CCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H25N5O4S/c1-30(27,28)12-11-29-18-4-2-3-17-16(18)13-22-25(17)19-9-10-21-20(24-19)23-14-5-7-15(26)8-6-14/h2-4,9-10,13-15,26H,5-8,11-12H2,1H3,(H,21,23,24)
InChIKeyUXBBRWNEXINJRZ-UHFFFAOYSA-N
MW431.52 g/mol
LogP1.95
Rot. Bonds7

About 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol

4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 59743400) has the molecular formula C20H25N5O4S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID59743400
Molecular FormulaC20H25N5O4S
Molecular Weight431.52 g/mol
Exact Mass431.16
IUPAC Name4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCS(=O)(=O)CCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1
InChIInChI=1S/C20H25N5O4S/c1-30(27,28)12-11-29-18-4-2-3-17-16(18)13-22-25(17)19-9-10-21-20(24-19)23-14-5-7-15(26)8-6-14/h2-4,9-10,13-15,26H,5-8,11-12H2,1H3,(H,21,23,24)
InChIKeyUXBBRWNEXINJRZ-UHFFFAOYSA-N
XLogP1.95
TPSA119.23 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-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-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 59743400) is 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is CS(=O)(=O)CCOc1cccc2c1cnn2-c1ccnc(NC2CCC(O)CC2)n1.
What is the InChIKey of 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is UXBBRWNEXINJRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N5O4S/c1-30(27,28)12-11-29-18-4-2-3-17-16(18)13-22-25(17)19-9-10-21-20(24-19)23-14-5-7-15(26)8-6-14/h2-4,9-10,13-15,26H,5-8,11-12H2,1H3,(H,21,23,24).
What are the key properties of 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 431.52 g/mol, XLogP of 1.95, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(2-methylsulfonylethoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 59743400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).