bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)

C92H94F6N24O6 — CID 165044573

IUPACbis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)
SMILESCc1nnc2ccc(-c3cnc(OC(C)(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12
InChIInChI=1S/2C16H17FN4O.4C15H15FN4O/c2*1-10-19-20-14-6-5-11(9-21(10)14)12-7-13(17)15(18-8-12)22-16(2,3)4;4*1-9(2)21-15-13(16)6-12(7-17-15)11-4-5-14-19-18-10(3)20(14)8-11/h2*5-9H,1-4H3;4*4-9H,1-3H3
InChIKeyORJDVVYGZPWRES-UHFFFAOYSA-N
MW1745.91 g/mol
LogP18.94
Rot. Bonds16

About bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)

bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine) (PubChem CID 165044573) has the molecular formula C92H94F6N24O6 and a molecular weight of 1745.91 g/mol. Its IUPAC name is bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine).

Molecular Properties

Compound Namebis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)
PubChem CID165044573
Molecular FormulaC92H94F6N24O6
Molecular Weight1745.91 g/mol
Exact Mass1744.77
IUPAC Namebis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)
SMILESCc1nnc2ccc(-c3cnc(OC(C)(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12
InChIInChI=1S/2C16H17FN4O.4C15H15FN4O/c2*1-10-19-20-14-6-5-11(9-21(10)14)12-7-13(17)15(18-8-12)22-16(2,3)4;4*1-9(2)21-15-13(16)6-12(7-17-15)11-4-5-14-19-18-10(3)20(14)8-11/h2*5-9H,1-4H3;4*4-9H,1-3H3
InChIKeyORJDVVYGZPWRES-UHFFFAOYSA-N
XLogP18.94
TPSA313.86 Ų
H-Bond Donors
H-Bond Acceptors30
Rotatable Bonds16
Heavy Atoms128
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001745.91
LogP ≤ 518.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1030

Analyze bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine) with MolForge

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Frequently Asked Questions

What is the IUPAC name of bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)?
The IUPAC name of bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine) (CID 165044573) is bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine).
What is the SMILES notation for bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)?
The canonical SMILES for bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine) is Cc1nnc2ccc(-c3cnc(OC(C)(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.Cc1nnc2ccc(-c3cnc(OC(C)C)c(F)c3)cn12.
What is the InChIKey of bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)?
The InChIKey is ORJDVVYGZPWRES-UHFFFAOYSA-N. The full InChI is InChI=1S/2C16H17FN4O.4C15H15FN4O/c2*1-10-19-20-14-6-5-11(9-21(10)14)12-7-13(17)15(18-8-12)22-16(2,3)4;4*1-9(2)21-15-13(16)6-12(7-17-15)11-4-5-14-19-18-10(3)20(14)8-11/h2*5-9H,1-4H3;4*4-9H,1-3H3.
What are the key properties of bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine)?
bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine) has a molecular weight of 1745.91 g/mol, XLogP of 18.94, 16 rotatable bonds, 0 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for bis(6-[5-fluoro-6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]-3-methyl-[1,2,4]triazolo[4,3-a]pyridine);tetrakis(6-(5-fluoro-6-propan-2-yloxy-3-pyridinyl)-3-methyl-[1,2,4]triazolo[4,3-a]pyridine) is sourced from PubChem (CID 165044573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).