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

C23H30N6O3S — CID 66927065

IUPAC2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCN(c2cccc3c2cnn3-c2ccnc(NC3CCCCC3O)n2)CC1
InChIInChI=1S/C23H30N6O3S/c1-33(31,32)16-10-13-28(14-11-16)19-6-4-7-20-17(19)15-25-29(20)22-9-12-24-23(27-22)26-18-5-2-3-8-21(18)30/h4,6-7,9,12,15-16,18,21,30H,2-3,5,8,10-11,13-14H2,1H3,(H,24,26,27)
InChIKeyRFHZGGGYWROMTN-UHFFFAOYSA-N
MW470.60 g/mol
LogP2.54
Rot. Bonds5

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

2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (PubChem CID 66927065) has the molecular formula C23H30N6O3S and a molecular weight of 470.60 g/mol. Its IUPAC name is 2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
PubChem CID66927065
Molecular FormulaC23H30N6O3S
Molecular Weight470.60 g/mol
Exact Mass470.21
IUPAC Name2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol
SMILESCS(=O)(=O)C1CCN(c2cccc3c2cnn3-c2ccnc(NC3CCCCC3O)n2)CC1
InChIInChI=1S/C23H30N6O3S/c1-33(31,32)16-10-13-28(14-11-16)19-6-4-7-20-17(19)15-25-29(20)22-9-12-24-23(27-22)26-18-5-2-3-8-21(18)30/h4,6-7,9,12,15-16,18,21,30H,2-3,5,8,10-11,13-14H2,1H3,(H,24,26,27)
InChIKeyRFHZGGGYWROMTN-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

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

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Related Compounds

4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexane-1-carboxylic acid
CID 140561170
[4-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-(3,4,6,7-tetrahydro-1H-pyrrolo[1,2-a]pyrazin-2-yl)methanone
CID 66940348
(1S)-2-[[4-(benzotriazol-1-yl)pyrimidin-2-yl]amino]cyclohexan-1-ol
CID 68872202
1-(2-methylpyrimidin-4-yl)-4-(4-methylsulfonylpiperidin-1-yl)indole
CID 70791802
N-cyclohexyl-4-(4-nitroindazol-1-yl)pyrimidin-2-amine
CID 143687407
4-[1-[2-[[4-(methanesulfonamido)cyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]piperazine-1-carboxamide
CID 50943589
[1-[2-[(4-hydroxycyclohexyl)amino]pyrimidin-4-yl]indazol-4-yl] cyanate
CID 24812796
[4-[[4-[4-(3-methylsulfonylpropoxy)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]-pyridin-2-ylmethanone
CID 59743456
1-[2-[[4-(dimethylsulfamoylamino)cyclohexyl]amino]pyrimidin-4-yl]indazole
CID 59743387
3-[4-[1-[2-(cyclohexylamino)pyrimidin-4-yl]indol-4-yl]piperazin-1-yl]-3-oxopropanenitrile
CID 50942837
N-[4-[[4-[4-[4-(2-cyanoacetyl)piperazin-1-yl]indol-1-yl]pyrimidin-2-yl]amino]cyclohexyl]methanesulfonamide
CID 50943666
3-[4-[1-[2-[[(1S,3R)-3-hydroxycyclohexyl]amino]pyrimidin-4-yl]indol-4-yl]piperazin-1-yl]-3-oxopropanenitrile
CID 50944009

Frequently Asked Questions

What is the IUPAC name of 2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The IUPAC name of 2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol (CID 66927065) is 2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol.
What is the SMILES notation for 2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The canonical SMILES for 2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is CS(=O)(=O)C1CCN(c2cccc3c2cnn3-c2ccnc(NC3CCCCC3O)n2)CC1.
What is the InChIKey of 2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
The InChIKey is RFHZGGGYWROMTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N6O3S/c1-33(31,32)16-10-13-28(14-11-16)19-6-4-7-20-17(19)15-25-29(20)22-9-12-24-23(27-22)26-18-5-2-3-8-21(18)30/h4,6-7,9,12,15-16,18,21,30H,2-3,5,8,10-11,13-14H2,1H3,(H,24,26,27).
What are the key properties of 2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol?
2-[[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 2-[[4-[4-(4-methylsulfonylpiperidin-1-yl)indazol-1-yl]pyrimidin-2-yl]amino]cyclohexan-1-ol is sourced from PubChem (CID 66927065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).