6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one

C38H38F2N10O2 — CID 67653168

IUPAC6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one
SMILESCCOc1nccc(-c2c(-c3ccc(F)cc3)nc(-c3nc(-c4ccc(F)cc4)c(-c4ccnc(=O)[nH]4)n3C3CCNCC3)n2C2CCNCC2)n1
InChIInChI=1S/C38H38F2N10O2/c1-2-52-38-44-22-16-30(46-38)34-32(24-5-9-26(40)10-6-24)48-36(50(34)28-13-19-42-20-14-28)35-47-31(23-3-7-25(39)8-4-23)33(29-15-21-43-37(51)45-29)49(35)27-11-17-41-18-12-27/h3-10,15-16,21-22,27-28,41-42H,2,11-14,17-20H2,1H3,(H,43,45,51)
InChIKeyJYCAVKOQLIQBMH-UHFFFAOYSA-N
MW704.79 g/mol
LogP5.81
Rot. Bonds9

About 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one

6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one (PubChem CID 67653168) has the molecular formula C38H38F2N10O2 and a molecular weight of 704.79 g/mol. Its IUPAC name is 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one.

Molecular Properties

Compound Name6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one
PubChem CID67653168
Molecular FormulaC38H38F2N10O2
Molecular Weight704.79 g/mol
Exact Mass704.31
IUPAC Name6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one
SMILESCCOc1nccc(-c2c(-c3ccc(F)cc3)nc(-c3nc(-c4ccc(F)cc4)c(-c4ccnc(=O)[nH]4)n3C3CCNCC3)n2C2CCNCC2)n1
InChIInChI=1S/C38H38F2N10O2/c1-2-52-38-44-22-16-30(46-38)34-32(24-5-9-26(40)10-6-24)48-36(50(34)28-13-19-42-20-14-28)35-47-31(23-3-7-25(39)8-4-23)33(29-15-21-43-37(51)45-29)49(35)27-11-17-41-18-12-27/h3-10,15-16,21-22,27-28,41-42H,2,11-14,17-20H2,1H3,(H,43,45,51)
InChIKeyJYCAVKOQLIQBMH-UHFFFAOYSA-N
XLogP5.81
TPSA140.46 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms52
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500704.79
LogP ≤ 55.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Analyze 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one 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 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one?
The IUPAC name of 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one (CID 67653168) is 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one.
What is the SMILES notation for 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one?
The canonical SMILES for 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one is CCOc1nccc(-c2c(-c3ccc(F)cc3)nc(-c3nc(-c4ccc(F)cc4)c(-c4ccnc(=O)[nH]4)n3C3CCNCC3)n2C2CCNCC2)n1.
What is the InChIKey of 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one?
The InChIKey is JYCAVKOQLIQBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H38F2N10O2/c1-2-52-38-44-22-16-30(46-38)34-32(24-5-9-26(40)10-6-24)48-36(50(34)28-13-19-42-20-14-28)35-47-31(23-3-7-25(39)8-4-23)33(29-15-21-43-37(51)45-29)49(35)27-11-17-41-18-12-27/h3-10,15-16,21-22,27-28,41-42H,2,11-14,17-20H2,1H3,(H,43,45,51).
What are the key properties of 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one?
6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one has a molecular weight of 704.79 g/mol, XLogP of 5.81, 9 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[5-(2-ethoxypyrimidin-4-yl)-4-(4-fluorophenyl)-1-piperidin-4-ylimidazol-2-yl]-5-(4-fluorophenyl)-3-piperidin-4-ylimidazol-4-yl]-1H-pyrimidin-2-one is sourced from PubChem (CID 67653168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).