2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine

C34H33F3N6O2 — CID 118651908

IUPAC2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine
SMILESCc1cc(-c2cccc(-c3cccc(-c4cccc(-c5cc(C(F)(F)F)nn5C5CCCCO5)n4)c3)n2)n(C2CCCCO2)n1
InChIInChI=1S/C34H33F3N6O2/c1-22-19-29(42(40-22)32-15-2-4-17-44-32)27-13-7-11-25(38-27)23-9-6-10-24(20-23)26-12-8-14-28(39-26)30-21-31(34(35,36)37)41-43(30)33-16-3-5-18-45-33/h6-14,19-21,32-33H,2-5,15-18H2,1H3
InChIKeyCPUCPFUUWGVOSI-UHFFFAOYSA-N
MW614.67 g/mol
LogP8.26
Rot. Bonds6

About 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine

2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine (PubChem CID 118651908) has the molecular formula C34H33F3N6O2 and a molecular weight of 614.67 g/mol. Its IUPAC name is 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine
PubChem CID118651908
Molecular FormulaC34H33F3N6O2
Molecular Weight614.67 g/mol
Exact Mass614.26
IUPAC Name2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine
SMILESCc1cc(-c2cccc(-c3cccc(-c4cccc(-c5cc(C(F)(F)F)nn5C5CCCCO5)n4)c3)n2)n(C2CCCCO2)n1
InChIInChI=1S/C34H33F3N6O2/c1-22-19-29(42(40-22)32-15-2-4-17-44-32)27-13-7-11-25(38-27)23-9-6-10-24(20-23)26-12-8-14-28(39-26)30-21-31(34(35,36)37)41-43(30)33-16-3-5-18-45-33/h6-14,19-21,32-33H,2-5,15-18H2,1H3
InChIKeyCPUCPFUUWGVOSI-UHFFFAOYSA-N
XLogP8.26
TPSA79.88 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.67
LogP ≤ 58.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine?
The IUPAC name of 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine (CID 118651908) is 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine.
What is the SMILES notation for 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine?
The canonical SMILES for 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine is Cc1cc(-c2cccc(-c3cccc(-c4cccc(-c5cc(C(F)(F)F)nn5C5CCCCO5)n4)c3)n2)n(C2CCCCO2)n1.
What is the InChIKey of 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine?
The InChIKey is CPUCPFUUWGVOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H33F3N6O2/c1-22-19-29(42(40-22)32-15-2-4-17-44-32)27-13-7-11-25(38-27)23-9-6-10-24(20-23)26-12-8-14-28(39-26)30-21-31(34(35,36)37)41-43(30)33-16-3-5-18-45-33/h6-14,19-21,32-33H,2-5,15-18H2,1H3.
What are the key properties of 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine?
2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine has a molecular weight of 614.67 g/mol, XLogP of 8.26, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-methyl-2-(oxan-2-yl)pyrazol-3-yl]-6-[3-[6-[1-(oxan-2-yl)-3-(trifluoromethyl)pyrazol-5-yl]-2-pyridinyl]phenyl]pyridine is sourced from PubChem (CID 118651908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).