4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine

C18H13F2N3 — CID 10470570

IUPAC4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
SMILESCc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1
InChIInChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3
InChIKeyXCQHKCHLKVPNJP-UHFFFAOYSA-N
MW309.32 g/mol
LogP3.56
Rot. Bonds1

About 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine

4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine (PubChem CID 10470570) has the molecular formula C18H13F2N3 and a molecular weight of 309.32 g/mol. Its IUPAC name is 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine.

Molecular Properties

Compound Name4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
PubChem CID10470570
Molecular FormulaC18H13F2N3
Molecular Weight309.32 g/mol
Exact Mass309.11
IUPAC Name4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine
SMILESCc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1
InChIInChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3
InChIKeyXCQHKCHLKVPNJP-UHFFFAOYSA-N
XLogP3.56
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Basimglurant
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Dipraglurant
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4-(4-(4-fluorophenyl)-1-(3-phenylpropyl)-5-(4-pyridinyl)-1H-imidazol-2-yl)-3-butyn-1-ol
CID 3008319
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720
1-benzyl-5-phenyl-1H-imidazole
CID 10444038
4-(1-(cyclopropylmethyl)-4-(4-fluorophenyl)-1H-imidazol-5-yl)pyrimidin-2-amine
CID 5172
VK-19911
CID 9797240
FR-79620
CID 10421577
2,6-Diphenylimidazo[1,2-a]pyridine
CID 58880626
2-(4-Fluorophenyl)imidazo[1,2-a]pyridine
CID 735319
4-(3-cyclohexyl-5-(4-fluoro-phenyl)-3H-imidazol-4-yl)pyrimidin-2-ylamine
CID 11681588

Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
The IUPAC name of 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine (CID 10470570) is 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine.
What is the SMILES notation for 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
The canonical SMILES for 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine is Cc1cc(C#Cc2cn(-c3ccc(F)cc3F)c(C)n2)ccn1.
What is the InChIKey of 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
The InChIKey is XCQHKCHLKVPNJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13F2N3/c1-12-9-14(7-8-21-12)3-5-16-11-23(13(2)22-16)18-6-4-15(19)10-17(18)20/h4,6-11H,1-2H3.
What are the key properties of 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine?
4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine has a molecular weight of 309.32 g/mol, XLogP of 3.56, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2,4-difluorophenyl)-2-methylimidazol-4-yl]ethynyl]-2-methylpyridine is sourced from PubChem (CID 10470570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).