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

C40H38F6N10O — CID 142760550

IUPAC1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(Oc4ccc(-c5[nH]ncc5CN5CCN(c6ccc(C(F)(F)F)cn6)CC5)cc4)cc3)CC2)nc1
InChIInChI=1S/C40H38F6N10O/c41-39(42,43)31-5-11-35(47-23-31)55-17-13-53(14-18-55)25-29-21-49-51-37(29)27-1-7-33(8-2-27)57-34-9-3-28(4-10-34)38-30(22-50-52-38)26-54-15-19-56(20-16-54)36-12-6-32(24-48-36)40(44,45)46/h1-12,21-24H,13-20,25-26H2,(H,49,51)(H,50,52)
InChIKeyTVCPWRCMXZBWOG-UHFFFAOYSA-N
MW788.80 g/mol
LogP7.73
Rot. Bonds10

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

1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine (PubChem CID 142760550) has the molecular formula C40H38F6N10O and a molecular weight of 788.80 g/mol. Its IUPAC name is 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine.

Molecular Properties

Compound Name1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine
PubChem CID142760550
Molecular FormulaC40H38F6N10O
Molecular Weight788.80 g/mol
Exact Mass788.31
IUPAC Name1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine
SMILESFC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(Oc4ccc(-c5[nH]ncc5CN5CCN(c6ccc(C(F)(F)F)cn6)CC5)cc4)cc3)CC2)nc1
InChIInChI=1S/C40H38F6N10O/c41-39(42,43)31-5-11-35(47-23-31)55-17-13-53(14-18-55)25-29-21-49-51-37(29)27-1-7-33(8-2-27)57-34-9-3-28(4-10-34)38-30(22-50-52-38)26-54-15-19-56(20-16-54)36-12-6-32(24-48-36)40(44,45)46/h1-12,21-24H,13-20,25-26H2,(H,49,51)(H,50,52)
InChIKeyTVCPWRCMXZBWOG-UHFFFAOYSA-N
XLogP7.73
TPSA105.33 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds10
Heavy Atoms57
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500788.80
LogP ≤ 57.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine with MolForge

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Related Compounds

2-(4-(2-(1H-imidazol-1-yl)ethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 10294883
1-(4-Phenoxyphenyl)-3-(1H-pyrazol-3-yl)-imidazo[1,5-a]pyrazin-8-ylamine
CID 44538699
1-(4-phenoxyphenyl)-3-(1H-pyrazol-4-yl)imidazo[1,5-a]pyrazin-8-amine
CID 57960966
US11247990, Example 496
CID 138715571
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-[4-(trifluoromethyl)-2-pyridinyl]piperazine
CID 2812604
2-(4-{[3-(2-fluoro-4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methyl}-1-piperazinyl)pyrazine
CID 42192620
N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-pyridin-2-ylpyrimidin-2-amine
CID 74249694
1-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-4-[5-(trifluoromethyl)pyridin-2-yl]piperazine
CID 2812603
4-[4-(4-fluorophenoxy)phenyl]-2-(1H-pyrazol-5-yl)pyrimidine
CID 9902128
4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-N-[3-(trifluoromethoxy)phenyl]pyridin-2-amine
CID 10222424
1-methyl-4-[4-pyridin-4-yl-5-[4-(trifluoromethoxy)phenyl]-1H-pyrazol-3-yl]piperazine
CID 15485909
3-[4-(difluoromethoxy)phenyl]-6-[5-(2-fluorophenyl)-1H-pyrazol-4-yl]imidazo[1,2-a]pyridine;hydrochloride
CID 22032188

Frequently Asked Questions

What is the IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine?
The IUPAC name of 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine (CID 142760550) is 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine.
What is the SMILES notation for 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine?
The canonical SMILES for 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine is FC(F)(F)c1ccc(N2CCN(Cc3cn[nH]c3-c3ccc(Oc4ccc(-c5[nH]ncc5CN5CCN(c6ccc(C(F)(F)F)cn6)CC5)cc4)cc3)CC2)nc1.
What is the InChIKey of 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine?
The InChIKey is TVCPWRCMXZBWOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H38F6N10O/c41-39(42,43)31-5-11-35(47-23-31)55-17-13-53(14-18-55)25-29-21-49-51-37(29)27-1-7-33(8-2-27)57-34-9-3-28(4-10-34)38-30(22-50-52-38)26-54-15-19-56(20-16-54)36-12-6-32(24-48-36)40(44,45)46/h1-12,21-24H,13-20,25-26H2,(H,49,51)(H,50,52).
What are the key properties of 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine?
1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine has a molecular weight of 788.80 g/mol, XLogP of 7.73, 10 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(trifluoromethyl)-2-pyridinyl]-4-[[5-[4-[4-[4-[[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]methyl]-1H-pyrazol-5-yl]phenoxy]phenyl]-1H-pyrazol-4-yl]methyl]piperazine is sourced from PubChem (CID 142760550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).