2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine

C22H23N5 — CID 10450985

IUPAC2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine
SMILESCc1cc(C#Cc2cn(-c3cncc(N4CCCCC4)c3)c(C)n2)ccn1
InChIInChI=1S/C22H23N5/c1-17-12-19(8-9-24-17)6-7-20-16-27(18(2)25-20)22-13-21(14-23-15-22)26-10-4-3-5-11-26/h8-9,12-16H,3-5,10-11H2,1-2H3
InChIKeyJXKVJQLBSMDLIJ-UHFFFAOYSA-N
MW357.46 g/mol
LogP3.67
Rot. Bonds2

About 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine

2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine (PubChem CID 10450985) has the molecular formula C22H23N5 and a molecular weight of 357.46 g/mol. Its IUPAC name is 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine.

Molecular Properties

Compound Name2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine
PubChem CID10450985
Molecular FormulaC22H23N5
Molecular Weight357.46 g/mol
Exact Mass357.20
IUPAC Name2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine
SMILESCc1cc(C#Cc2cn(-c3cncc(N4CCCCC4)c3)c(C)n2)ccn1
InChIInChI=1S/C22H23N5/c1-17-12-19(8-9-24-17)6-7-20-16-27(18(2)25-20)22-13-21(14-23-15-22)26-10-4-3-5-11-26/h8-9,12-16H,3-5,10-11H2,1-2H3
InChIKeyJXKVJQLBSMDLIJ-UHFFFAOYSA-N
XLogP3.67
TPSA46.84 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.46
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

4-chloro-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
CID 10244859
4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 10017970
4-[2-(1,2-dimethylimidazol-4-yl)ethynyl]-2-methylpyridine
CID 11148529
5-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-2-methylpyridazin-3-one
CID 58111197
4-cyclopropyl-2-[2-methyl-4-[2-(2-methyl-4-pyridinyl)ethynyl]imidazol-1-yl]pyrimidine
CID 10245173
2-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]pyrazine
CID 11770899
2-chloro-4-[2-methyl-4-[2-(3-methylphenyl)ethynyl]imidazol-1-yl]pyridine
CID 86649881
2-chloro-4-[2-[1-(3-fluoro-4-methylphenyl)-2-methylimidazol-4-yl]ethynyl]pyridine
CID 86595315
4-[2-[1-(2,2-difluoroethyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
CID 11196277
4-[2-[1-(4-fluorophenyl)-2-methylimidazol-4-yl]ethynyl]pyridine-2-carbonitrile
CID 24963367
6-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-3-methylpyrimidin-4-one
CID 58111179
2-[4-[2-(2-chloro-4-pyridinyl)ethynyl]-2-methylimidazol-1-yl]-6-prop-2-enoxypyrazine
CID 86649883

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine?
The IUPAC name of 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine (CID 10450985) is 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine.
What is the SMILES notation for 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine?
The canonical SMILES for 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine is Cc1cc(C#Cc2cn(-c3cncc(N4CCCCC4)c3)c(C)n2)ccn1.
What is the InChIKey of 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine?
The InChIKey is JXKVJQLBSMDLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5/c1-17-12-19(8-9-24-17)6-7-20-16-27(18(2)25-20)22-13-21(14-23-15-22)26-10-4-3-5-11-26/h8-9,12-16H,3-5,10-11H2,1-2H3.
What are the key properties of 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine?
2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine has a molecular weight of 357.46 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[2-[2-methyl-1-(5-piperidin-1-yl-3-pyridinyl)imidazol-4-yl]ethynyl]pyridine is sourced from PubChem (CID 10450985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).