4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine

C24H28F3N7O — CID 68972555

IUPAC4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(N3CCOCC3)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H28F3N7O/c1-17-15-32(6-7-34(17)22-5-3-20(14-29-22)24(25,26)27)16-19-13-30-31-23(19)18-2-4-21(28-12-18)33-8-10-35-11-9-33/h2-5,12-14,17H,6-11,15-16H2,1H3,(H,30,31)
InChIKeyLEFJAWWCAIFYNJ-UHFFFAOYSA-N
MW487.53 g/mol
LogP3.43
Rot. Bonds5

About 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine

4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine (PubChem CID 68972555) has the molecular formula C24H28F3N7O and a molecular weight of 487.53 g/mol. Its IUPAC name is 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine.

Molecular Properties

Compound Name4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine
PubChem CID68972555
Molecular FormulaC24H28F3N7O
Molecular Weight487.53 g/mol
Exact Mass487.23
IUPAC Name4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine
SMILESCC1CN(Cc2cn[nH]c2-c2ccc(N3CCOCC3)nc2)CCN1c1ccc(C(F)(F)F)cn1
InChIInChI=1S/C24H28F3N7O/c1-17-15-32(6-7-34(17)22-5-3-20(14-29-22)24(25,26)27)16-19-13-30-31-23(19)18-2-4-21(28-12-18)33-8-10-35-11-9-33/h2-5,12-14,17H,6-11,15-16H2,1H3,(H,30,31)
InChIKeyLEFJAWWCAIFYNJ-UHFFFAOYSA-N
XLogP3.43
TPSA73.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.53
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine?
The IUPAC name of 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine (CID 68972555) is 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine.
What is the SMILES notation for 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine?
The canonical SMILES for 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine is CC1CN(Cc2cn[nH]c2-c2ccc(N3CCOCC3)nc2)CCN1c1ccc(C(F)(F)F)cn1.
What is the InChIKey of 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine?
The InChIKey is LEFJAWWCAIFYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28F3N7O/c1-17-15-32(6-7-34(17)22-5-3-20(14-29-22)24(25,26)27)16-19-13-30-31-23(19)18-2-4-21(28-12-18)33-8-10-35-11-9-33/h2-5,12-14,17H,6-11,15-16H2,1H3,(H,30,31).
What are the key properties of 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine?
4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine has a molecular weight of 487.53 g/mol, XLogP of 3.43, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[4-[[3-methyl-4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]-2-pyridinyl]morpholine is sourced from PubChem (CID 68972555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).