2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

C25H26F3N7 — CID 68974160

IUPAC2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCc1cn(-c2ccc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C(C)C3)cc2)cn1
InChIInChI=1S/C25H26F3N7/c1-17-13-34(16-30-17)22-6-3-19(4-7-22)24-20(11-31-32-24)15-33-9-10-35(18(2)14-33)23-8-5-21(12-29-23)25(26,27)28/h3-8,11-13,16,18H,9-10,14-15H2,1-2H3,(H,31,32)
InChIKeyKJABQJRHYRSFQZ-UHFFFAOYSA-N
MW481.53 g/mol
LogP4.70
Rot. Bonds5

About 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine

2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (PubChem CID 68974160) has the molecular formula C25H26F3N7 and a molecular weight of 481.53 g/mol. Its IUPAC name is 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.

Molecular Properties

Compound Name2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
PubChem CID68974160
Molecular FormulaC25H26F3N7
Molecular Weight481.53 g/mol
Exact Mass481.22
IUPAC Name2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine
SMILESCc1cn(-c2ccc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C(C)C3)cc2)cn1
InChIInChI=1S/C25H26F3N7/c1-17-13-34(16-30-17)22-6-3-19(4-7-22)24-20(11-31-32-24)15-33-9-10-35(18(2)14-33)23-8-5-21(12-29-23)25(26,27)28/h3-8,11-13,16,18H,9-10,14-15H2,1-2H3,(H,31,32)
InChIKeyKJABQJRHYRSFQZ-UHFFFAOYSA-N
XLogP4.70
TPSA65.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.53
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The IUPAC name of 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine (CID 68974160) is 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine.
What is the SMILES notation for 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The canonical SMILES for 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is Cc1cn(-c2ccc(-c3[nH]ncc3CN3CCN(c4ccc(C(F)(F)F)cn4)C(C)C3)cc2)cn1.
What is the InChIKey of 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
The InChIKey is KJABQJRHYRSFQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26F3N7/c1-17-13-34(16-30-17)22-6-3-19(4-7-22)24-20(11-31-32-24)15-33-9-10-35(18(2)14-33)23-8-5-21(12-29-23)25(26,27)28/h3-8,11-13,16,18H,9-10,14-15H2,1-2H3,(H,31,32).
What are the key properties of 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine?
2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine has a molecular weight of 481.53 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[[5-[4-(4-methylimidazol-1-yl)phenyl]-1H-pyrazol-4-yl]methyl]-1-[5-(trifluoromethyl)-2-pyridinyl]piperazine is sourced from PubChem (CID 68974160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).