2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine

C24H26F2N4O3S — CID 44610106

IUPAC2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(S(C)(=O)=O)cn4)cc3F)CC2)nc1
InChIInChI=1S/C24H26F2N4O3S/c1-3-16-12-28-24(29-13-16)30-8-6-17(7-9-30)15-33-23-20(25)10-18(11-21(23)26)22-5-4-19(14-27-22)34(2,31)32/h4-5,10-14,17H,3,6-9,15H2,1-2H3
InChIKeyAPZNLFGFDNSECA-UHFFFAOYSA-N
MW488.56 g/mol
LogP4.08
Rot. Bonds7

About 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine

2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine (PubChem CID 44610106) has the molecular formula C24H26F2N4O3S and a molecular weight of 488.56 g/mol. Its IUPAC name is 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine.

Molecular Properties

Compound Name2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
PubChem CID44610106
Molecular FormulaC24H26F2N4O3S
Molecular Weight488.56 g/mol
Exact Mass488.17
IUPAC Name2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(S(C)(=O)=O)cn4)cc3F)CC2)nc1
InChIInChI=1S/C24H26F2N4O3S/c1-3-16-12-28-24(29-13-16)30-8-6-17(7-9-30)15-33-23-20(25)10-18(11-21(23)26)22-5-4-19(14-27-22)34(2,31)32/h4-5,10-14,17H,3,6-9,15H2,1-2H3
InChIKeyAPZNLFGFDNSECA-UHFFFAOYSA-N
XLogP4.08
TPSA85.28 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500488.56
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine 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 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
The IUPAC name of 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine (CID 44610106) is 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine.
What is the SMILES notation for 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
The canonical SMILES for 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine is CCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(S(C)(=O)=O)cn4)cc3F)CC2)nc1.
What is the InChIKey of 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
The InChIKey is APZNLFGFDNSECA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N4O3S/c1-3-16-12-28-24(29-13-16)30-8-6-17(7-9-30)15-33-23-20(25)10-18(11-21(23)26)22-5-4-19(14-27-22)34(2,31)32/h4-5,10-14,17H,3,6-9,15H2,1-2H3.
What are the key properties of 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine?
2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine has a molecular weight of 488.56 g/mol, XLogP of 4.08, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[2,6-difluoro-4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine is sourced from PubChem (CID 44610106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).