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

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Related Compounds

4-[5-[2-(1-phenyl-ethylamino)-pyrimidin-4-yl]-1-methyl-4-(3-trifluoromethylphenyl)-1H-imidazol-2-yl]-piperidine
CID 447721
SB-242235
CID 9863367
{4-[5-(4-Fluoro-phenyl)-3-(1-methyl-piperidin-4-yl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-phenyl-amine
CID 17892742
{4-[3-Methyl-2-piperidin-4-yl-5-(3-trifluoromethyl-phenyl)-3H-imidazol-4-yl]-pyrimidin-2-yl}-((R)-1-phenyl-ethyl)-amine
CID 656907
4-(4-(4-fluorophenyl)-1-(piperidin-4-yl)-1H-imidazol-5-yl)-N-phenylpyrimidin-2-amine
CID 9888013
{4-[(S)-2-(4-Fluoro-phenyl)-5-(4-methyl-piperazin-1-yl)-imidazo[4,5-b]pyridin-1-yl]-pyrimidin-2-yl}-(1-phenyl-ethyl)-amine
CID 9957918
4-(7-((dimethylamino)methyl)-2-(4-fluorophenyl)H-imidazo[1,2-a]pyridin-3-yl)-N-((S)-1-phenylethyl)pyrimidin-2-amine
CID 10162057
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(2-methoxyethyl)amine
CID 24746218
{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}-(3-methoxypropyl)amine
CID 24746385
Cyclohexyl-{4-[7-dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-yl}amine
CID 24746541
2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyrimidin-7-amine
CID 44124695
4-[7-[(dimethylamino)methyl]-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]-N-[(1R)-1-phenylethyl]pyrimidin-2-amine
CID 44419886

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).