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

C23H30N6O3S — CID 50943203

IUPAC4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCN(c2cccc3c2cnn3-c2ccnc(NC3CCC(O)CC3)n2)CC1
InChIInChI=1S/C23H30N6O3S/c1-33(31,32)18-10-13-28(14-11-18)20-3-2-4-21-19(20)15-25-29(21)22-9-12-24-23(27-22)26-16-5-7-17(30)8-6-16/h2-4,9,12,15-18,30H,5-8,10-11,13-14H2,1H3,(H,24,26,27)
InChIKeySSWFFPALFQMQLE-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.54
Rot. Bonds5

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

4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 50943203) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is 4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID50943203
Molecular FormulaC23H30N6O3S
Molecular Weight470.60 g/mol
Exact Mass470.21
IUPAC Name4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCN(c2cccc3c2cnn3-c2ccnc(NC3CCC(O)CC3)n2)CC1
InChIInChI=1S/C23H30N6O3S/c1-33(31,32)18-10-13-28(14-11-18)20-3-2-4-21-19(20)15-25-29(21)22-9-12-24-23(27-22)26-16-5-7-17(30)8-6-16/h2-4,9,12,15-18,30H,5-8,10-11,13-14H2,1H3,(H,24,26,27)
InChIKeySSWFFPALFQMQLE-UHFFFAOYSA-N
XLogP2.54
TPSA113.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.60
LogP ≤ 52.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 50943203) is 4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is CS(=O)(=O)C1CCN(c2cccc3c2cnn3-c2ccnc(NC3CCC(O)CC3)n2)CC1.
What is the InChIKey of 4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is SSWFFPALFQMQLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S/c1-33(31,32)18-10-13-28(14-11-18)20-3-2-4-21-19(20)15-25-29(21)22-9-12-24-23(27-22)26-16-5-7-17(30)8-6-16/h2-4,9,12,15-18,30H,5-8,10-11,13-14H2,1H3,(H,24,26,27).
What are the key properties of 4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol has a molecular weight of 470.60 g/mol, XLogP of 2.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 50943203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).