4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine

C24H27FN4O4S — CID 59856866

IUPAC4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine
SMILESCc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C24H27FN4O4S/c1-17-23(32-19-8-12-29(13-9-19)11-7-18-4-3-10-26-15-18)27-16-28-24(17)33-22-6-5-20(14-21(22)25)34(2,30)31/h3-6,10,14-16,19H,7-9,11-13H2,1-2H3
InChIKeyNUCBMLTYQHSURX-UHFFFAOYSA-N
MW486.57 g/mol
LogP3.60
Rot. Bonds8

About 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine

4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine (PubChem CID 59856866) has the molecular formula C24H27FN4O4S and a molecular weight of 486.57 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine
PubChem CID59856866
Molecular FormulaC24H27FN4O4S
Molecular Weight486.57 g/mol
Exact Mass486.17
IUPAC Name4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine
SMILESCc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCN(CCc2cccnc2)CC1
InChIInChI=1S/C24H27FN4O4S/c1-17-23(32-19-8-12-29(13-9-19)11-7-18-4-3-10-26-15-18)27-16-28-24(17)33-22-6-5-20(14-21(22)25)34(2,30)31/h3-6,10,14-16,19H,7-9,11-13H2,1-2H3
InChIKeyNUCBMLTYQHSURX-UHFFFAOYSA-N
XLogP3.60
TPSA94.51 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.57
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine with MolForge

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

Launch Full Analysis

Related Compounds

CID 11503692
CID 11503692
CID 54584625
CID 54584625
CID 57392379
CID 57392379
CID 76324300
CID 76324300
CID 145967591
CID 145967591
CID 145968330
CID 145968330
CID 58017021
CID 58017021
CID 53600128
CID 53600128
CID 11213815
CID 11213815
CID 11305790
CID 11305790
CID 11307777
CID 11307777
CID 11386019
CID 11386019

Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine?
The IUPAC name of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine (CID 59856866) is 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine?
The canonical SMILES for 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine is Cc1c(Oc2ccc(S(C)(=O)=O)cc2F)ncnc1OC1CCN(CCc2cccnc2)CC1.
What is the InChIKey of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine?
The InChIKey is NUCBMLTYQHSURX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O4S/c1-17-23(32-19-8-12-29(13-9-19)11-7-18-4-3-10-26-15-18)27-16-28-24(17)33-22-6-5-20(14-21(22)25)34(2,30)31/h3-6,10,14-16,19H,7-9,11-13H2,1-2H3.
What are the key properties of 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine?
4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine has a molecular weight of 486.57 g/mol, XLogP of 3.60, 8 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylsulfonylphenoxy)-5-methyl-6-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]oxypyrimidine is sourced from PubChem (CID 59856866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).