3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one

C23H27FN4O2 — CID 91415139

IUPAC3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one
SMILESCCn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)c1=O
InChIInChI=1S/C23H27FN4O2/c1-2-28-22(29)16-27(23(28)30)14-17-6-8-18(9-7-17)20-11-10-19(24)21(25-20)15-26-12-4-3-5-13-26/h6-11,16,29H,2-5,12-15H2,1H3
InChIKeyMFYKHKJFZNUPOO-UHFFFAOYSA-N
MW410.49 g/mol
LogP3.61
Rot. Bonds6

About 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one

3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one (PubChem CID 91415139) has the molecular formula C23H27FN4O2 and a molecular weight of 410.49 g/mol. Its IUPAC name is 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one.

Molecular Properties

Compound Name3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one
PubChem CID91415139
Molecular FormulaC23H27FN4O2
Molecular Weight410.49 g/mol
Exact Mass410.21
IUPAC Name3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one
SMILESCCn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)c1=O
InChIInChI=1S/C23H27FN4O2/c1-2-28-22(29)16-27(23(28)30)14-17-6-8-18(9-7-17)20-11-10-19(24)21(25-20)15-26-12-4-3-5-13-26/h6-11,16,29H,2-5,12-15H2,1H3
InChIKeyMFYKHKJFZNUPOO-UHFFFAOYSA-N
XLogP3.61
TPSA63.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.49
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one?
The IUPAC name of 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one (CID 91415139) is 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one.
What is the SMILES notation for 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one?
The canonical SMILES for 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one is CCn1c(O)cn(Cc2ccc(-c3ccc(F)c(CN4CCCCC4)n3)cc2)c1=O.
What is the InChIKey of 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one?
The InChIKey is MFYKHKJFZNUPOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O2/c1-2-28-22(29)16-27(23(28)30)14-17-6-8-18(9-7-17)20-11-10-19(24)21(25-20)15-26-12-4-3-5-13-26/h6-11,16,29H,2-5,12-15H2,1H3.
What are the key properties of 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one?
3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one has a molecular weight of 410.49 g/mol, XLogP of 3.61, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[[4-[5-fluoro-6-(piperidin-1-ylmethyl)-2-pyridinyl]phenyl]methyl]-4-hydroxyimidazol-2-one is sourced from PubChem (CID 91415139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).