5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile

C38H23F10N11O2S2 — CID 175400741

About 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile

5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile (PubChem CID 175400741) has the molecular formula C38H23F10N11O2S2 and a molecular weight of 919.79 g/mol. Its IUPAC name is 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile.

Molecular Properties

• Compound Name: 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile
• PubChem CID: 175400741
• Molecular Formula: C38H23F10N11O2S2
• Molecular Weight: 919.79 g/mol
• Exact Mass: 919.13
• IUPAC Name: 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile
• SMILES: Cc1csc(N2C(c3ccnc(C(F)(F)F)c3)=C(Oc3ccc(C(F)(F)F)nc3)C(c3ccc(C#N)nc3)(c3csc(C)n3)N(c3nc(C)oc3F)C2(n2cccn2)C(F)(F)F)n1
• InChI: InChI=1S/C38H23F10N11O2S2/c1-19-17-63-33(54-19)58-29(22-9-11-50-27(13-22)36(43,44)45)30(61-25-7-8-26(52-16-25)35(40,41)42)34(28-18-62-21(3)56-28,23-5-6-24(14-49)51-15-23)59(32-31(39)60-20(2)55-32)38(58,37(46,47)48)57-12-4-10-53-57/h4-13,15-18H,1-3H3
• InChIKey: LJMFXVSXLQDRQT-UHFFFAOYSA-N
• XLogP: 9.53
• TPSA: 147.80 Ų
• H-Bond Acceptors: 15
• Rotatable Bonds: 8
• Heavy Atoms: 63
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	919.79
LogP ≤ 5	9.53
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile?

The IUPAC name of 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile (CID 175400741) is 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile.

What is the SMILES notation for 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile?

The canonical SMILES for 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile is Cc1csc(N2C(c3ccnc(C(F)(F)F)c3)=C(Oc3ccc(C(F)(F)F)nc3)C(c3ccc(C#N)nc3)(c3csc(C)n3)N(c3nc(C)oc3F)C2(n2cccn2)C(F)(F)F)n1.

What is the InChIKey of 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile?

The InChIKey is LJMFXVSXLQDRQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H23F10N11O2S2/c1-19-17-63-33(54-19)58-29(22-9-11-50-27(13-22)36(43,44)45)30(61-25-7-8-26(52-16-25)35(40,41)42)34(28-18-62-21(3)56-28,23-5-6-24(14-49)51-15-23)59(32-31(39)60-20(2)55-32)38(58,37(46,47)48)57-12-4-10-53-57/h4-13,15-18H,1-3H3.

What are the key properties of 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile?

5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile has a molecular weight of 919.79 g/mol, XLogP of 9.53, 8 rotatable bonds, 0 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-(5-fluoro-2-methyl-1,3-oxazol-4-yl)-4-(2-methyl-1,3-thiazol-4-yl)-1-(4-methyl-1,3-thiazol-2-yl)-2-pyrazol-1-yl-2-(trifluoromethyl)-6-[2-(trifluoromethyl)-4-pyridinyl]-5-[[6-(trifluoromethyl)-3-pyridinyl]oxy]pyrimidin-4-yl]pyridine-2-carbonitrile is sourced from PubChem (CID 175400741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).