1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine

C19H19F2N5 — CID 91162996

IUPAC1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2cc(-n3ccnc3-c3ccc(F)cc3)cc(F)n2)CC1
InChIInChI=1S/C19H19F2N5/c1-24-8-10-25(11-9-24)18-13-16(12-17(21)23-18)26-7-6-22-19(26)14-2-4-15(20)5-3-14/h2-7,12-13H,8-11H2,1H3
InChIKeyCUSPTVAZVKHHOK-UHFFFAOYSA-N
MW355.39 g/mol
LogP2.96
Rot. Bonds3

About 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine

1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine (PubChem CID 91162996) has the molecular formula C19H19F2N5 and a molecular weight of 355.39 g/mol. Its IUPAC name is 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine.

Molecular Properties

Compound Name1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine
PubChem CID91162996
Molecular FormulaC19H19F2N5
Molecular Weight355.39 g/mol
Exact Mass355.16
IUPAC Name1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine
SMILESCN1CCN(c2cc(-n3ccnc3-c3ccc(F)cc3)cc(F)n2)CC1
InChIInChI=1S/C19H19F2N5/c1-24-8-10-25(11-9-24)18-13-16(12-17(21)23-18)26-7-6-22-19(26)14-2-4-15(20)5-3-14/h2-7,12-13H,8-11H2,1H3
InChIKeyCUSPTVAZVKHHOK-UHFFFAOYSA-N
XLogP2.96
TPSA37.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

1-[6-(4-fluorophenyl)-5-methyl-2-pyridinyl]-4-methylpiperazine
CID 174611706
4-fluoro-7-methyl-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]indole
CID 170159037
4-[4-(4-fluorophenyl)piperazin-1-yl]-2-(4-methylpiperazin-1-yl)pyrimidine
CID 112888108
4-(4-fluorophenyl)-2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-1,3-thiazole
CID 103597501
4-[5-(4-fluorophenyl)-3-pyridinyl]-2-methyl-6-(4-methylpiperazin-1-yl)pyrimidine
CID 4625280
4-[2-(4-fluorophenyl)imidazol-1-yl]pyrimidine
CID 90953470
1-(4-fluorophenyl)-2-(7-methoxynaphthalen-2-yl)imidazole
CID 175883795
4-[[2-(4-fluorophenyl)-6-(4-methylpiperazin-1-yl)-4-pyridinyl]amino]phenol
CID 70954601
6-[2-(4-fluorophenyl)imidazol-1-yl]-3H-1,3-benzothiazol-2-one
CID 172772023
3-(4-fluorophenyl)-5-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine
CID 108771995
4-fluoro-6-[4-(4-fluorophenyl)piperazin-1-yl]pyrimidine
CID 115416249
5-(4-fluorophenyl)-7-[4-(4-methyl-2-pyridinyl)piperazin-1-yl]pyrazolo[1,5-a]pyrimidine
CID 56886372

Frequently Asked Questions

What is the IUPAC name of 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine?
The IUPAC name of 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine (CID 91162996) is 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine.
What is the SMILES notation for 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine?
The canonical SMILES for 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine is CN1CCN(c2cc(-n3ccnc3-c3ccc(F)cc3)cc(F)n2)CC1.
What is the InChIKey of 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine?
The InChIKey is CUSPTVAZVKHHOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F2N5/c1-24-8-10-25(11-9-24)18-13-16(12-17(21)23-18)26-7-6-22-19(26)14-2-4-15(20)5-3-14/h2-7,12-13H,8-11H2,1H3.
What are the key properties of 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine?
1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine has a molecular weight of 355.39 g/mol, XLogP of 2.96, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-fluoro-4-[2-(4-fluorophenyl)imidazol-1-yl]-2-pyridinyl]-4-methylpiperazine is sourced from PubChem (CID 91162996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).