sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride

C24H25F2N4NaO3 — CID 173054386

IUPACsodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C(=O)O)nc4)cc3F)CC2)nc1.[H-].[Na+]
InChIInChI=1S/C24H24F2N4O3.Na.H/c1-2-15-11-28-24(29-12-15)30-7-5-16(6-8-30)14-33-22-19(25)9-18(10-20(22)26)17-3-4-21(23(31)32)27-13-17;;/h3-4,9-13,16H,2,5-8,14H2,1H3,(H,31,32);;/q;+1;-1
InChIKeyJXDPXHVSEIUKIE-UHFFFAOYSA-N
MW478.48 g/mol
LogP1.49
Rot. Bonds7

About sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride

sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride (PubChem CID 173054386) has the molecular formula C24H25F2N4NaO3 and a molecular weight of 478.48 g/mol. Its IUPAC name is sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride.

Molecular Properties

Compound Namesodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride
PubChem CID173054386
Molecular FormulaC24H25F2N4NaO3
Molecular Weight478.48 g/mol
Exact Mass478.18
IUPAC Namesodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride
SMILESCCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C(=O)O)nc4)cc3F)CC2)nc1.[H-].[Na+]
InChIInChI=1S/C24H24F2N4O3.Na.H/c1-2-15-11-28-24(29-12-15)30-7-5-16(6-8-30)14-33-22-19(25)9-18(10-20(22)26)17-3-4-21(23(31)32)27-13-17;;/h3-4,9-13,16H,2,5-8,14H2,1H3,(H,31,32);;/q;+1;-1
InChIKeyJXDPXHVSEIUKIE-UHFFFAOYSA-N
XLogP1.49
TPSA88.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.48
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[[2,6-difluoro-4-(6-methyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 91114165
2-[4-[[2,6-difluoro-4-[6-(nitrosomethyl)-3-pyridinyl]phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 143925102
5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-N'-[methyl-(methylideneamino)amino]pyridine-2-carboximidamide
CID 89109454
2-[4-[[2,6-difluoro-4-[4-(2-methyltetrazol-5-yl)phenyl]phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 44608689
1-[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-2,6-difluorophenyl]-N-methylmethanimine oxide
CID 142418709
2-[4-[[4-(2,6-dimethyl-3-pyridinyl)-2,6-difluorophenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine;ethane
CID 143925097
2-[4-[(4-cyclohexyl-2,6-difluorophenoxy)methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 58430258
2-[4-[[2,6-difluoro-4-(2-methyl-6-methylsulfonyl-3-pyridinyl)phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 44609177
1-[4-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-3-fluorophenyl]-N-methylmethanimine
CID 142418627
1-[2-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]-1,3-benzoxazol-5-yl]-N-methylmethanimine
CID 142418595
5-ethyl-2-[4-[[4-(4-ethylcyclohexen-1-yl)-2-fluorophenoxy]methyl]piperidin-1-yl]pyrimidine
CID 135370437
2-[4-[[2,6-difluoro-4-[(3E,5E)-6-methylsulfinylhepta-1,3,5-trien-3-yl]phenoxy]methyl]piperidin-1-yl]-5-ethylpyrimidine
CID 143925056

Frequently Asked Questions

What is the IUPAC name of sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride?
The IUPAC name of sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride (CID 173054386) is sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride.
What is the SMILES notation for sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride?
The canonical SMILES for sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride is CCc1cnc(N2CCC(COc3c(F)cc(-c4ccc(C(=O)O)nc4)cc3F)CC2)nc1.[H-].[Na+].
What is the InChIKey of sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride?
The InChIKey is JXDPXHVSEIUKIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4O3.Na.H/c1-2-15-11-28-24(29-12-15)30-7-5-16(6-8-30)14-33-22-19(25)9-18(10-20(22)26)17-3-4-21(23(31)32)27-13-17;;/h3-4,9-13,16H,2,5-8,14H2,1H3,(H,31,32);;/q;+1;-1.
What are the key properties of sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride?
sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride has a molecular weight of 478.48 g/mol, XLogP of 1.49, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;5-[4-[[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]methoxy]-3,5-difluorophenyl]pyridine-2-carboxylic acid;hydride is sourced from PubChem (CID 173054386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).