[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone

C22H25N5O — CID 110100536

IUPAC[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
SMILESCc1ncc(-c2cncc(CC3CCN(C(=O)c4ccccc4)CC3)n2)n1C
InChIInChI=1S/C22H25N5O/c1-16-24-15-21(26(16)2)20-14-23-13-19(25-20)12-17-8-10-27(11-9-17)22(28)18-6-4-3-5-7-18/h3-7,13-15,17H,8-12H2,1-2H3
InChIKeySJODNWPMBAKNGS-UHFFFAOYSA-N
MW375.48 g/mol
LogP3.28
Rot. Bonds4

About [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone

[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone (PubChem CID 110100536) has the molecular formula C22H25N5O and a molecular weight of 375.48 g/mol. Its IUPAC name is [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
PubChem CID110100536
Molecular FormulaC22H25N5O
Molecular Weight375.48 g/mol
Exact Mass375.21
IUPAC Name[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
SMILESCc1ncc(-c2cncc(CC3CCN(C(=O)c4ccccc4)CC3)n2)n1C
InChIInChI=1S/C22H25N5O/c1-16-24-15-21(26(16)2)20-14-23-13-19(25-20)12-17-8-10-27(11-9-17)22(28)18-6-4-3-5-7-18/h3-7,13-15,17H,8-12H2,1-2H3
InChIKeySJODNWPMBAKNGS-UHFFFAOYSA-N
XLogP3.28
TPSA63.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.48
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-thiophen-2-ylmethanone
CID 110110265
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(3-fluorophenyl)methanone
CID 125006454
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 124980349
[(3S)-3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-phenylmethanone
CID 124976879
[3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-thiophen-2-ylmethanone
CID 110110266
2-(2,3-dimethylimidazol-4-yl)-6-[[1-(pyridin-3-ylmethyl)piperidin-4-yl]methyl]pyrazine
CID 110100532
1-[4-[(6-phenylpyrazin-2-yl)methyl]piperidin-1-yl]ethanone
CID 95820935
[(3S)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(oxan-4-yl)methanone
CID 125008856
1-[(3R)-3-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-2-thiophen-2-ylethanone
CID 124955333
[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110205
[4-[[5-[(dimethylamino)methyl]pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110116877
[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110110580

Frequently Asked Questions

What is the IUPAC name of [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone (CID 110100536) is [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone is Cc1ncc(-c2cncc(CC3CCN(C(=O)c4ccccc4)CC3)n2)n1C.
What is the InChIKey of [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone?
The InChIKey is SJODNWPMBAKNGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O/c1-16-24-15-21(26(16)2)20-14-23-13-19(25-20)12-17-8-10-27(11-9-17)22(28)18-6-4-3-5-7-18/h3-7,13-15,17H,8-12H2,1-2H3.
What are the key properties of [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone?
[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone has a molecular weight of 375.48 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 110100536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).