2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine

C27H23F3N6 — CID 59645733

IUPAC2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCn1c(-c2cccc(C(C)(C)c3cccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)cnc1-c1ccccc1
InChIInChI=1S/C27H23F3N6/c1-26(2,22-13-7-11-18(32-22)20-15-24(35-34-20)27(28,29)30)23-14-8-12-19(33-23)21-16-31-25(36(21)3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,34,35)
InChIKeyAKWUYNDJEMUGAU-UHFFFAOYSA-N
MW488.52 g/mol
LogP6.28
Rot. Bonds5

About 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine

2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine (PubChem CID 59645733) has the molecular formula C27H23F3N6 and a molecular weight of 488.52 g/mol. Its IUPAC name is 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine.

Molecular Properties

Compound Name2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine
PubChem CID59645733
Molecular FormulaC27H23F3N6
Molecular Weight488.52 g/mol
Exact Mass488.19
IUPAC Name2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine
SMILESCn1c(-c2cccc(C(C)(C)c3cccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)cnc1-c1ccccc1
InChIInChI=1S/C27H23F3N6/c1-26(2,22-13-7-11-18(32-22)20-15-24(35-34-20)27(28,29)30)23-14-8-12-19(33-23)21-16-31-25(36(21)3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,34,35)
InChIKeyAKWUYNDJEMUGAU-UHFFFAOYSA-N
XLogP6.28
TPSA72.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.52
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine?
The IUPAC name of 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine (CID 59645733) is 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine.
What is the SMILES notation for 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine?
The canonical SMILES for 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine is Cn1c(-c2cccc(C(C)(C)c3cccc(-c4cc(C(F)(F)F)[nH]n4)n3)n2)cnc1-c1ccccc1.
What is the InChIKey of 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine?
The InChIKey is AKWUYNDJEMUGAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23F3N6/c1-26(2,22-13-7-11-18(32-22)20-15-24(35-34-20)27(28,29)30)23-14-8-12-19(33-23)21-16-31-25(36(21)3)17-9-5-4-6-10-17/h4-16H,1-3H3,(H,34,35).
What are the key properties of 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine?
2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine has a molecular weight of 488.52 g/mol, XLogP of 6.28, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-2-phenylimidazol-4-yl)-6-[2-[6-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-2-pyridinyl]propan-2-yl]pyridine is sourced from PubChem (CID 59645733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).