5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine

C26H25F9N6O — CID 76901699

IUPAC5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine
SMILESFC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)nn3C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)nc1
InChIInChI=1S/C26H25F9N6O/c27-24(28,29)16-1-3-21(36-14-16)39-9-5-18(6-10-39)41-23(13-20(38-41)26(33,34)35)42-19-7-11-40(12-8-19)22-4-2-17(15-37-22)25(30,31)32/h1-4,13-15,18-19H,5-12H2
InChIKeyQOEAJOXZGXRPBH-UHFFFAOYSA-N
MW608.51 g/mol
LogP6.62
Rot. Bonds5

About 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine

5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine (PubChem CID 76901699) has the molecular formula C26H25F9N6O and a molecular weight of 608.51 g/mol. Its IUPAC name is 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine.

Molecular Properties

Compound Name5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine
PubChem CID76901699
Molecular FormulaC26H25F9N6O
Molecular Weight608.51 g/mol
Exact Mass608.19
IUPAC Name5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine
SMILESFC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)nn3C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)nc1
InChIInChI=1S/C26H25F9N6O/c27-24(28,29)16-1-3-21(36-14-16)39-9-5-18(6-10-39)41-23(13-20(38-41)26(33,34)35)42-19-7-11-40(12-8-19)22-4-2-17(15-37-22)25(30,31)32/h1-4,13-15,18-19H,5-12H2
InChIKeyQOEAJOXZGXRPBH-UHFFFAOYSA-N
XLogP6.62
TPSA59.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500608.51
LogP ≤ 56.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[[4-[1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzonitrile
CID 155450819
4-[[4-[1-(Oxan-4-yl)-3-(trifluoromethyl)pyrazol-5-yl]oxy-2-pyridinyl]amino]benzonitrile
CID 155450821
2-(4-Benzyl-3-ethoxy-5-methylpyrazol-1-yl)-5-(trifluoromethyl)pyridine
CID 118430511
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(6-morpholin-4-yl-3-pyridinyl)methanamine
CID 51104902
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-morpholin-4-yl-3-pyridinyl)methanamine
CID 51104997
N-[(5-methoxy-1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]-1-pyridin-2-ylpiperidin-4-amine
CID 51105081
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(2-piperidin-1-yl-3-pyridinyl)methanamine
CID 51105328
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methanamine
CID 51105334
(6,7-dihydro-5H-pyrazolo[5,1-b][1,3]oxazin-2-yl)(4-(4-(3-(trifluoromethyl)pyridin-2-yl)piperazin-1-yl)piperidin-1-yl)methanone
CID 91811573
2-Pyridin-4-yl-4-[4-(pyridin-2-yloxymethyl)piperidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 72104981
2-(4-Fluorophenyl)-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidine
CID 9862668
2-(4-Fluorophenyl)-5-methyl-4-[2-methyl-5-(trifluoromethyl)pyrazol-3-yl]oxypyrimidine
CID 15452276

Frequently Asked Questions

What is the IUPAC name of 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine?
The IUPAC name of 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine (CID 76901699) is 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine.
What is the SMILES notation for 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine?
The canonical SMILES for 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine is FC(F)(F)c1ccc(N2CCC(Oc3cc(C(F)(F)F)nn3C3CCN(c4ccc(C(F)(F)F)cn4)CC3)CC2)nc1.
What is the InChIKey of 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine?
The InChIKey is QOEAJOXZGXRPBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F9N6O/c27-24(28,29)16-1-3-21(36-14-16)39-9-5-18(6-10-39)41-23(13-20(38-41)26(33,34)35)42-19-7-11-40(12-8-19)22-4-2-17(15-37-22)25(30,31)32/h1-4,13-15,18-19H,5-12H2.
What are the key properties of 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine?
5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine has a molecular weight of 608.51 g/mol, XLogP of 6.62, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(trifluoromethyl)-2-[4-[3-(trifluoromethyl)-5-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]oxypyrazol-1-yl]piperidin-1-yl]pyridine is sourced from PubChem (CID 76901699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).