[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone

C21H24N6O — CID 175656644

IUPAC[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ncc(-c2nccnc2CC2CCN(C(=O)c3ccccn3)CC2)n1C
InChIInChI=1S/C21H24N6O/c1-15-25-14-19(26(15)2)20-18(23-9-10-24-20)13-16-6-11-27(12-7-16)21(28)17-5-3-4-8-22-17/h3-5,8-10,14,16H,6-7,11-13H2,1-2H3
InChIKeyHZSCQDYCLPTTOK-UHFFFAOYSA-N
MW376.46 g/mol
LogP2.68
Rot. Bonds4

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

[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone (PubChem CID 175656644) has the molecular formula C21H24N6O and a molecular weight of 376.46 g/mol. Its IUPAC name is [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
PubChem CID175656644
Molecular FormulaC21H24N6O
Molecular Weight376.46 g/mol
Exact Mass376.20
IUPAC Name[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
SMILESCc1ncc(-c2nccnc2CC2CCN(C(=O)c3ccccn3)CC2)n1C
InChIInChI=1S/C21H24N6O/c1-15-25-14-19(26(15)2)20-18(23-9-10-24-20)13-16-6-11-27(12-7-16)21(28)17-5-3-4-8-22-17/h3-5,8-10,14,16H,6-7,11-13H2,1-2H3
InChIKeyHZSCQDYCLPTTOK-UHFFFAOYSA-N
XLogP2.68
TPSA76.80 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-(6-methyl-3-pyridinyl)methanone
CID 110110580
[(3R)-3-[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 124999728
1-[3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]-2,2-dimethylpropan-1-one
CID 110131850
1-[(3S)-3-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]ethanone
CID 124961929
[4-(aminomethyl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 21221047
2-[1-(pyridine-2-carbonyl)piperidin-4-yl]acetic acid
CID 79614951
[3-[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110095314
[4-[[6-(1-methylimidazol-2-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110205
pyridin-2-yl-[4-(quinolin-8-ylmethyl)piperidin-1-yl]methanone
CID 175652239
1-[4-[4-(pyridine-2-carbonyl)piperazine-1-carbonyl]piperidin-1-yl]ethanone
CID 110814030
[4-[[6-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-phenylmethanone
CID 110100536
1-[(3R)-3-[[3-(2-methylpyrazol-3-yl)pyrazin-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 124974350

Frequently Asked Questions

What is the IUPAC name of [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone (CID 175656644) is [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone is Cc1ncc(-c2nccnc2CC2CCN(C(=O)c3ccccn3)CC2)n1C.
What is the InChIKey of [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone?
The InChIKey is HZSCQDYCLPTTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N6O/c1-15-25-14-19(26(15)2)20-18(23-9-10-24-20)13-16-6-11-27(12-7-16)21(28)17-5-3-4-8-22-17/h3-5,8-10,14,16H,6-7,11-13H2,1-2H3.
What are the key properties of [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone?
[4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone has a molecular weight of 376.46 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[3-(2,3-dimethylimidazol-4-yl)pyrazin-2-yl]methyl]piperidin-1-yl]-pyridin-2-ylmethanone is sourced from PubChem (CID 175656644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).