1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

C23H24FN5O2 — CID 58247834

IUPAC1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESCc1cc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)nn1C
InChIInChI=1S/C23H24FN5O2/c1-16-13-20(26-27(16)2)7-8-21(30)18-9-10-25-22(14-18)29-12-11-28(23(29)31)15-17-3-5-19(24)6-4-17/h3-6,9-10,13-14H,7-8,11-12,15H2,1-2H3
InChIKeyKRBXXJVSYLWUET-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.52
Rot. Bonds7

About 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one

1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 58247834) has the molecular formula C23H24FN5O2 and a molecular weight of 421.48 g/mol. Its IUPAC name is 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID58247834
Molecular FormulaC23H24FN5O2
Molecular Weight421.48 g/mol
Exact Mass421.19
IUPAC Name1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one
SMILESCc1cc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)nn1C
InChIInChI=1S/C23H24FN5O2/c1-16-13-20(26-27(16)2)7-8-21(30)18-9-10-25-22(14-18)29-12-11-28(23(29)31)15-17-3-5-19(24)6-4-17/h3-6,9-10,13-14H,7-8,11-12,15H2,1-2H3
InChIKeyKRBXXJVSYLWUET-UHFFFAOYSA-N
XLogP3.52
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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7-(5-Methyl-2-pyrazol-1-yl-imidazo[1,5-b]pyridazin-7-yl)-1-phenyl-heptan-1-one
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CID 44419815
N-[3-[3-(4-fluorobenzoyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]-N-methylacetamide
CID 44452706
N-ethyl-N-[2-[3-(5-fluoro-2-pyridinyl)pyrazol-1-yl]ethyl]-5-methyl-2-pyrimidin-2-ylbenzamide
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4-[2-amino-5-(1,3-dimethylpyrazol-4-yl)-3-pyridinyl]-N-[(1S)-2-amino-1-phenylethyl]-2-fluorobenzamide
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Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one (CID 58247834) is 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is Cc1cc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)nn1C.
What is the InChIKey of 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is KRBXXJVSYLWUET-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN5O2/c1-16-13-20(26-27(16)2)7-8-21(30)18-9-10-25-22(14-18)29-12-11-28(23(29)31)15-17-3-5-19(24)6-4-17/h3-6,9-10,13-14H,7-8,11-12,15H2,1-2H3.
What are the key properties of 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one?
1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 421.48 g/mol, XLogP of 3.52, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(1,5-dimethylpyrazol-3-yl)propanoyl]-2-pyridinyl]-3-[(4-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 58247834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).