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

C24H26FN5O2 — CID 58247792

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESCc1nn(C)c(C)c1CCC(=O)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C24H26FN5O2/c1-16-21(17(2)28(3)27-16)8-9-22(31)19-10-11-26-23(14-19)30-13-12-29(24(30)32)15-18-4-6-20(25)7-5-18/h4-7,10-11,14H,8-9,12-13,15H2,1-3H3
InChIKeyBYWRLMGDHJZXKW-UHFFFAOYSA-N
MW435.50 g/mol
LogP3.83
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247792) has the molecular formula C24H26FN5O2 and a molecular weight of 435.50 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID58247792
Molecular FormulaC24H26FN5O2
Molecular Weight435.50 g/mol
Exact Mass435.21
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESCc1nn(C)c(C)c1CCC(=O)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1
InChIInChI=1S/C24H26FN5O2/c1-16-21(17(2)28(3)27-16)8-9-22(31)19-10-11-26-23(14-19)30-13-12-29(24(30)32)15-18-4-6-20(25)7-5-18/h4-7,10-11,14H,8-9,12-13,15H2,1-3H3
InChIKeyBYWRLMGDHJZXKW-UHFFFAOYSA-N
XLogP3.83
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.50
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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US11142525, Example 22
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[4-(3,5-dimethylpyrazolyl)phenyl]-N-(2-pyridyl)carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (CID 58247792) is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is Cc1nn(C)c(C)c1CCC(=O)c1ccnc(N2CCN(Cc3ccc(F)cc3)C2=O)c1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is BYWRLMGDHJZXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26FN5O2/c1-16-21(17(2)28(3)27-16)8-9-22(31)19-10-11-26-23(14-19)30-13-12-29(24(30)32)15-18-4-6-20(25)7-5-18/h4-7,10-11,14H,8-9,12-13,15H2,1-3H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 435.50 g/mol, XLogP of 3.83, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).