[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

C22H22N8O — CID 122338581

IUPAC[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESCc1nc(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C22H22N8O/c1-17-25-20(15-21(26-17)29-9-7-23-16-29)27-10-12-28(13-11-27)22(31)18-4-2-5-19(14-18)30-8-3-6-24-30/h2-9,14-16H,10-13H2,1H3
InChIKeyYLILVSWSSYOIJH-UHFFFAOYSA-N
MW414.47 g/mol
LogP2.12
Rot. Bonds4

About [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone

[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (PubChem CID 122338581) has the molecular formula C22H22N8O and a molecular weight of 414.47 g/mol. Its IUPAC name is [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.

Molecular Properties

Compound Name[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
PubChem CID122338581
Molecular FormulaC22H22N8O
Molecular Weight414.47 g/mol
Exact Mass414.19
IUPAC Name[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
SMILESCc1nc(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)cc(-n2ccnc2)n1
InChIInChI=1S/C22H22N8O/c1-17-25-20(15-21(26-17)29-9-7-23-16-29)27-10-12-28(13-11-27)22(31)18-4-2-5-19(14-18)30-8-3-6-24-30/h2-9,14-16H,10-13H2,1H3
InChIKeyYLILVSWSSYOIJH-UHFFFAOYSA-N
XLogP2.12
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.47
LogP ≤ 52.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3-fluorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700227
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 50944512
(4-chlorophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699121
[4-[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone
CID 122350426
(3,4-dimethoxyphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56700148
[4-(dimethylamino)phenyl]-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122338510
(3-pyrazol-1-ylphenyl)-[4-(6-pyrazol-1-ylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 122337319
(2-bromophenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 121073773
(2,5-dimethylphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699268
(3-pyrazol-1-ylphenyl)-[4-(1,2,5-thiadiazol-3-yl)piperazin-1-yl]methanone
CID 126853262
(2,3-dimethoxyphenyl)-[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 56699279
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(2,3,4-trifluorophenyl)methanone
CID 122338546

Frequently Asked Questions

What is the IUPAC name of [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The IUPAC name of [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone (CID 122338581) is [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone.
What is the SMILES notation for [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The canonical SMILES for [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is Cc1nc(N2CCN(C(=O)c3cccc(-n4cccn4)c3)CC2)cc(-n2ccnc2)n1.
What is the InChIKey of [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
The InChIKey is YLILVSWSSYOIJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O/c1-17-25-20(15-21(26-17)29-9-7-23-16-29)27-10-12-28(13-11-27)22(31)18-4-2-5-19(14-18)30-8-3-6-24-30/h2-9,14-16H,10-13H2,1H3.
What are the key properties of [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone?
[4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone has a molecular weight of 414.47 g/mol, XLogP of 2.12, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(6-imidazol-1-yl-2-methylpyrimidin-4-yl)piperazin-1-yl]-(3-pyrazol-1-ylphenyl)methanone is sourced from PubChem (CID 122338581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).