1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol

C25H27F3N6O3 — CID 91453494

IUPAC1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol
SMILESCc1cc(-c2nc(C3=CC=C(OC(F)(F)F)C(C)C3)no2)nn1Cc1ccnc(N2CCC(O)CC2)c1
InChIInChI=1S/C25H27F3N6O3/c1-15-11-18(3-4-21(15)36-25(26,27)28)23-30-24(37-32-23)20-12-16(2)34(31-20)14-17-5-8-29-22(13-17)33-9-6-19(35)7-10-33/h3-5,8,12-13,15,19,35H,6-7,9-11,14H2,1-2H3
InChIKeyOCVAYQVSBRGXJM-UHFFFAOYSA-N
MW516.52 g/mol
LogP4.49
Rot. Bonds6

About 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol

1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol (PubChem CID 91453494) has the molecular formula C25H27F3N6O3 and a molecular weight of 516.52 g/mol. Its IUPAC name is 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol.

Molecular Properties

Compound Name1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol
PubChem CID91453494
Molecular FormulaC25H27F3N6O3
Molecular Weight516.52 g/mol
Exact Mass516.21
IUPAC Name1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol
SMILESCc1cc(-c2nc(C3=CC=C(OC(F)(F)F)C(C)C3)no2)nn1Cc1ccnc(N2CCC(O)CC2)c1
InChIInChI=1S/C25H27F3N6O3/c1-15-11-18(3-4-21(15)36-25(26,27)28)23-30-24(37-32-23)20-12-16(2)34(31-20)14-17-5-8-29-22(13-17)33-9-6-19(35)7-10-33/h3-5,8,12-13,15,19,35H,6-7,9-11,14H2,1-2H3
InChIKeyOCVAYQVSBRGXJM-UHFFFAOYSA-N
XLogP4.49
TPSA102.33 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.52
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol?
The IUPAC name of 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol (CID 91453494) is 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol.
What is the SMILES notation for 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol?
The canonical SMILES for 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol is Cc1cc(-c2nc(C3=CC=C(OC(F)(F)F)C(C)C3)no2)nn1Cc1ccnc(N2CCC(O)CC2)c1.
What is the InChIKey of 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol?
The InChIKey is OCVAYQVSBRGXJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27F3N6O3/c1-15-11-18(3-4-21(15)36-25(26,27)28)23-30-24(37-32-23)20-12-16(2)34(31-20)14-17-5-8-29-22(13-17)33-9-6-19(35)7-10-33/h3-5,8,12-13,15,19,35H,6-7,9-11,14H2,1-2H3.
What are the key properties of 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol?
1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol has a molecular weight of 516.52 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[5-methyl-3-[3-[5-methyl-4-(trifluoromethoxy)cyclohexa-1,3-dien-1-yl]-1,2,4-oxadiazol-5-yl]pyrazol-1-yl]methyl]-2-pyridinyl]piperidin-4-ol is sourced from PubChem (CID 91453494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).