potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride

C34H40FKN6O5 — CID 173038715

IUPACpotassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
SMILESCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(C2CCC(OC(C)C(C)(C)O)CC2)c2ncnn12.[H-].[K+]
InChIInChI=1S/C34H39FN6O5.K.H/c1-5-8-29-27(17-22-12-11-21(18-28(22)35)25-9-6-7-10-26(25)30-38-33(43)46-39-30)31(42)40(32-36-19-37-41(29)32)23-13-15-24(16-14-23)45-20(2)34(3,4)44;;/h6-7,9-12,18-20,23-24,44H,5,8,13-17H2,1-4H3,(H,38,39,43);;/q;+1;-1
InChIKeyABAFRJLLRABBTO-UHFFFAOYSA-N
MW670.83 g/mol
LogP2.36
Rot. Bonds10

About potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride

potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride (PubChem CID 173038715) has the molecular formula C34H40FKN6O5 and a molecular weight of 670.83 g/mol. Its IUPAC name is potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride.

Molecular Properties

Compound Namepotassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
PubChem CID173038715
Molecular FormulaC34H40FKN6O5
Molecular Weight670.83 g/mol
Exact Mass670.27
IUPAC Namepotassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride
SMILESCCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(C2CCC(OC(C)C(C)(C)O)CC2)c2ncnn12.[H-].[K+]
InChIInChI=1S/C34H39FN6O5.K.H/c1-5-8-29-27(17-22-12-11-21(18-28(22)35)25-9-6-7-10-26(25)30-38-33(43)46-39-30)31(42)40(32-36-19-37-41(29)32)23-13-15-24(16-14-23)45-20(2)34(3,4)44;;/h6-7,9-12,18-20,23-24,44H,5,8,13-17H2,1-4H3,(H,38,39,43);;/q;+1;-1
InChIKeyABAFRJLLRABBTO-UHFFFAOYSA-N
XLogP2.36
TPSA140.54 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds10
Heavy Atoms47
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500670.83
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride with MolForge

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Frequently Asked Questions

What is the IUPAC name of potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
The IUPAC name of potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride (CID 173038715) is potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride.
What is the SMILES notation for potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
The canonical SMILES for potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride is CCCc1c(Cc2ccc(-c3ccccc3-c3noc(=O)[nH]3)cc2F)c(=O)n(C2CCC(OC(C)C(C)(C)O)CC2)c2ncnn12.[H-].[K+].
What is the InChIKey of potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
The InChIKey is ABAFRJLLRABBTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39FN6O5.K.H/c1-5-8-29-27(17-22-12-11-21(18-28(22)35)25-9-6-7-10-26(25)30-38-33(43)46-39-30)31(42)40(32-36-19-37-41(29)32)23-13-15-24(16-14-23)45-20(2)34(3,4)44;;/h6-7,9-12,18-20,23-24,44H,5,8,13-17H2,1-4H3,(H,38,39,43);;/q;+1;-1.
What are the key properties of potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride?
potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride has a molecular weight of 670.83 g/mol, XLogP of 2.36, 10 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for potassium;3-[2-[3-fluoro-4-[[4-[4-(3-hydroxy-3-methylbutan-2-yl)oxycyclohexyl]-5-oxo-7-propyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]methyl]phenyl]phenyl]-4H-1,2,4-oxadiazol-5-one;hydride is sourced from PubChem (CID 173038715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).