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

C22H22FN5O2 — CID 58247773

IUPAC1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESCn1cc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)cn1
InChIInChI=1S/C22H22FN5O2/c1-26-14-17(13-25-26)4-7-20(29)18-8-9-24-21(12-18)28-11-10-27(22(28)30)15-16-2-5-19(23)6-3-16/h2-3,5-6,8-9,12-14H,4,7,10-11,15H2,1H3
InChIKeyXIPHBOYSTKVXSX-UHFFFAOYSA-N
MW407.45 g/mol
LogP3.21
Rot. Bonds7

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

1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (PubChem CID 58247773) has the molecular formula C22H22FN5O2 and a molecular weight of 407.45 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
PubChem CID58247773
Molecular FormulaC22H22FN5O2
Molecular Weight407.45 g/mol
Exact Mass407.18
IUPAC Name1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one
SMILESCn1cc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)cn1
InChIInChI=1S/C22H22FN5O2/c1-26-14-17(13-25-26)4-7-20(29)18-8-9-24-21(12-18)28-11-10-27(22(28)30)15-16-2-5-19(23)6-3-16/h2-3,5-6,8-9,12-14H,4,7,10-11,15H2,1H3
InChIKeyXIPHBOYSTKVXSX-UHFFFAOYSA-N
XLogP3.21
TPSA71.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

8-[4-[2-[(4-Fluorophenyl)methyl-Methyl-Amino]ethyl]pyrazol-1-Yl]-3~{h}-Pyrido[3,4-D]pyrimidin-4-One
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N-{1-[Amino(oxo)acetyl]pentyl}-2-(4-phenyl-1H-pyrazol-1-yl)nicotinamide
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CID 118560423
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3,3-difluoropyrrolidin-1-yl)pyridin-3-yl]acetamide
CID 126740597
[3-Tert-butyl-1-[(4-fluorophenyl)methyl]pyrazol-5-yl]-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 2810089
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(4-methylpiperazino)[6-(1H-pyrazol-1-yl)-3-pyridinyl]methanone
CID 3758761
[4-(3,5-Dimethylpyrazol-1-yl)phenyl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 8934323
N-methyl-N-[4-[(6-pyrazol-1-yl-2-pyridinyl)methylamino]butyl]benzamide
CID 10570712
(1-Benzyl-3-tert-butylpyrazol-5-yl)-[4-[3-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methanone
CID 44526798
5-(4-fluorophenyl)-1,4-dimethyl-N-(5-methyl-2-pyridinyl)pyrazole-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one (CID 58247773) is 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is Cn1cc(CCC(=O)c2ccnc(N3CCN(Cc4ccc(F)cc4)C3=O)c2)cn1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
The InChIKey is XIPHBOYSTKVXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O2/c1-26-14-17(13-25-26)4-7-20(29)18-8-9-24-21(12-18)28-11-10-27(22(28)30)15-16-2-5-19(23)6-3-16/h2-3,5-6,8-9,12-14H,4,7,10-11,15H2,1H3.
What are the key properties of 1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one?
1-[(4-fluorophenyl)methyl]-3-[4-[3-(1-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one has a molecular weight of 407.45 g/mol, XLogP of 3.21, 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-methylpyrazol-4-yl)propanoyl]-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 58247773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).