4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

C22H23N7O2 — CID 122338234

IUPAC4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C22H23N7O2/c30-21-12-17(14-29(21)18-4-2-1-3-5-18)22(31)27-10-8-26(9-11-27)19-13-20(25-15-24-19)28-7-6-23-16-28/h1-7,13,15-17H,8-12,14H2
InChIKeyQMERFUUWWMJZPT-UHFFFAOYSA-N
MW417.47 g/mol
LogP1.36
Rot. Bonds4

About 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one

4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (PubChem CID 122338234) has the molecular formula C22H23N7O2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.

Molecular Properties

Compound Name4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
PubChem CID122338234
Molecular FormulaC22H23N7O2
Molecular Weight417.47 g/mol
Exact Mass417.19
IUPAC Name4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one
SMILESO=C(C1CC(=O)N(c2ccccc2)C1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1
InChIInChI=1S/C22H23N7O2/c30-21-12-17(14-29(21)18-4-2-1-3-5-18)22(31)27-10-8-26(9-11-27)19-13-20(25-15-24-19)28-7-6-23-16-28/h1-7,13,15-17H,8-12,14H2
InChIKeyQMERFUUWWMJZPT-UHFFFAOYSA-N
XLogP1.36
TPSA87.46 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]-(4-phenylpiperazin-1-yl)methanone
CID 90520235
4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]-1-(3-methoxyphenyl)pyrrolidin-2-one
CID 90539545
1-(3,4-dimethylphenyl)-4-[4-(6-imidazol-1-ylpyridazin-3-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90539444
(4-benzhydrylpiperazin-1-yl)-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520340
1-(4-methoxyphenyl)-4-[4-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]pyrrolidin-2-one
CID 122343462
1-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-2,2-diphenylethanone
CID 121073739
1-(3,4-dimethylphenyl)-4-[4-(6-phenylpyrimidin-4-yl)piperazine-1-carbonyl]pyrrolidin-2-one
CID 90516679
1-phenyl-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
CID 2977525
[4-(2,5-dimethylphenyl)piperazin-1-yl]-[1-(6-imidazol-1-ylpyrimidin-4-yl)piperidin-4-yl]methanone
CID 90520402
4-[4-[6-(4,5-dimethylimidazol-1-yl)pyrimidin-4-yl]piperazine-1-carbonyl]-1-(3,4-dimethylphenyl)pyrrolidin-2-one
CID 122345384
(4S)-1-(4-methylphenyl)-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)pyrrolidin-2-one
CID 9242636
[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazin-1-yl]-(3-iodophenyl)methanone
CID 121073744

Frequently Asked Questions

What is the IUPAC name of 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The IUPAC name of 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one (CID 122338234) is 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one.
What is the SMILES notation for 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The canonical SMILES for 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is O=C(C1CC(=O)N(c2ccccc2)C1)N1CCN(c2cc(-n3ccnc3)ncn2)CC1.
What is the InChIKey of 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
The InChIKey is QMERFUUWWMJZPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N7O2/c30-21-12-17(14-29(21)18-4-2-1-3-5-18)22(31)27-10-8-26(9-11-27)19-13-20(25-15-24-19)28-7-6-23-16-28/h1-7,13,15-17H,8-12,14H2.
What are the key properties of 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one?
4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one has a molecular weight of 417.47 g/mol, XLogP of 1.36, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(6-imidazol-1-ylpyrimidin-4-yl)piperazine-1-carbonyl]-1-phenylpyrrolidin-2-one is sourced from PubChem (CID 122338234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).