2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid

C26H24FN5O3 — CID 18536620

IUPAC2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1
InChIInChI=1S/C26H24FN5O3/c27-19-5-3-18(4-6-19)24-25(32(16-30-24)20-9-12-28-13-10-20)22-11-14-29-26(31-22)35-21-7-1-17(2-8-21)15-23(33)34/h1-8,11,14,16,20,28H,9-10,12-13,15H2,(H,33,34)
InChIKeyZFCPBNYYKRBXCC-UHFFFAOYSA-N
MW473.51 g/mol
LogP4.49
Rot. Bonds7

About 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid

2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid (PubChem CID 18536620) has the molecular formula C26H24FN5O3 and a molecular weight of 473.51 g/mol. Its IUPAC name is 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid
PubChem CID18536620
Molecular FormulaC26H24FN5O3
Molecular Weight473.51 g/mol
Exact Mass473.19
IUPAC Name2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid
SMILESO=C(O)Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1
InChIInChI=1S/C26H24FN5O3/c27-19-5-3-18(4-6-19)24-25(32(16-30-24)20-9-12-28-13-10-20)22-11-14-29-26(31-22)35-21-7-1-17(2-8-21)15-23(33)34/h1-8,11,14,16,20,28H,9-10,12-13,15H2,(H,33,34)
InChIKeyZFCPBNYYKRBXCC-UHFFFAOYSA-N
XLogP4.49
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid?
The IUPAC name of 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid (CID 18536620) is 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid.
What is the SMILES notation for 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid?
The canonical SMILES for 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid is O=C(O)Cc1ccc(Oc2nccc(-c3c(-c4ccc(F)cc4)ncn3C3CCNCC3)n2)cc1.
What is the InChIKey of 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid?
The InChIKey is ZFCPBNYYKRBXCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5O3/c27-19-5-3-18(4-6-19)24-25(32(16-30-24)20-9-12-28-13-10-20)22-11-14-29-26(31-22)35-21-7-1-17(2-8-21)15-23(33)34/h1-8,11,14,16,20,28H,9-10,12-13,15H2,(H,33,34).
What are the key properties of 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid?
2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid has a molecular weight of 473.51 g/mol, XLogP of 4.49, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[4-[5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]pyrimidin-2-yl]oxyphenyl]acetic acid is sourced from PubChem (CID 18536620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).