2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid

C22H26FN3O7 — CID 68534963

IUPAC2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid
SMILESCc1c(Oc2ccc(CC(=O)O)cc2F)ncnc1OC1CCN(OC(=O)OC(C)C)CC1
InChIInChI=1S/C22H26FN3O7/c1-13(2)30-22(29)33-26-8-6-16(7-9-26)31-20-14(3)21(25-12-24-20)32-18-5-4-15(10-17(18)23)11-19(27)28/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,27,28)
InChIKeyYMUQOSFDSMDIHJ-UHFFFAOYSA-N
MW463.46 g/mol
LogP3.66
Rot. Bonds8

About 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid

2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid (PubChem CID 68534963) has the molecular formula C22H26FN3O7 and a molecular weight of 463.46 g/mol. Its IUPAC name is 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid
PubChem CID68534963
Molecular FormulaC22H26FN3O7
Molecular Weight463.46 g/mol
Exact Mass463.18
IUPAC Name2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid
SMILESCc1c(Oc2ccc(CC(=O)O)cc2F)ncnc1OC1CCN(OC(=O)OC(C)C)CC1
InChIInChI=1S/C22H26FN3O7/c1-13(2)30-22(29)33-26-8-6-16(7-9-26)31-20-14(3)21(25-12-24-20)32-18-5-4-15(10-17(18)23)11-19(27)28/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,27,28)
InChIKeyYMUQOSFDSMDIHJ-UHFFFAOYSA-N
XLogP3.66
TPSA120.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.46
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid 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

[4-[6-(2-fluoro-4-thiophen-3-ylphenoxy)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68536818
4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxybenzenesulfonic acid
CID 87487791
[4-[6-[[6-(2-cyclopropyloxyethylamino)-2-methyl-3-pyridinyl]oxy]-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534224
[4-[6-[2,5-difluoro-4-(2-methoxyethoxy)anilino]-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534067
propan-2-yl 4-[6-[2-fluoro-4-(2-propan-2-yloxyethoxy)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11191059
[4-[6-(4-bromo-2,5-difluoroanilino)-5-methylpyrimidin-4-yl]oxypiperidin-1-yl] propan-2-yl carbonate
CID 68534036
propan-2-yl 4-[6-[2-fluoro-4-(methanesulfonamido)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 11386126
propan-2-yl 4-[6-[2-fluoro-4-[2-(2-methylpropoxy)ethoxy]phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856761
propan-2-yl 4-[6-(2,5-difluorophenoxy)-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 67540981
propan-2-yl 4-[6-(3-fluoro-1-oxidopyridin-1-ium-4-yl)oxy-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856747
propan-2-yl 4-[6-[2-fluoro-4-(2-propan-2-yloxyethylcarbamoyl)phenoxy]-5-methylpyrimidin-4-yl]oxypiperidine-1-carboxylate
CID 59856823
2-[3-fluoro-4-(5-methyl-6-piperidin-4-yloxypyrimidin-4-yl)oxyphenyl]-N-(2-hydroxyethyl)acetamide
CID 141105707

Frequently Asked Questions

What is the IUPAC name of 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid?
The IUPAC name of 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid (CID 68534963) is 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid is Cc1c(Oc2ccc(CC(=O)O)cc2F)ncnc1OC1CCN(OC(=O)OC(C)C)CC1.
What is the InChIKey of 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid?
The InChIKey is YMUQOSFDSMDIHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26FN3O7/c1-13(2)30-22(29)33-26-8-6-16(7-9-26)31-20-14(3)21(25-12-24-20)32-18-5-4-15(10-17(18)23)11-19(27)28/h4-5,10,12-13,16H,6-9,11H2,1-3H3,(H,27,28).
What are the key properties of 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid?
2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid has a molecular weight of 463.46 g/mol, XLogP of 3.66, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-fluoro-4-[5-methyl-6-(1-propan-2-yloxycarbonyloxypiperidin-4-yl)oxypyrimidin-4-yl]oxyphenyl]acetic acid is sourced from PubChem (CID 68534963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).