5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine

C20H21FN6O — CID 155107647

IUPAC5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
SMILESO=Nc1cccc(C2CCN(Cc3cn(Cc4ccc(F)cn4)nn3)CC2)c1
InChIInChI=1S/C20H21FN6O/c21-17-4-5-19(22-11-17)13-27-14-20(23-25-27)12-26-8-6-15(7-9-26)16-2-1-3-18(10-16)24-28/h1-5,10-11,14-15H,6-9,12-13H2
InChIKeyVUHUDYIMJQMFFP-UHFFFAOYSA-N
MW380.43 g/mol
LogP3.64
Rot. Bonds6

About 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine

5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine (PubChem CID 155107647) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine.

Molecular Properties

Compound Name5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
PubChem CID155107647
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine
SMILESO=Nc1cccc(C2CCN(Cc3cn(Cc4ccc(F)cn4)nn3)CC2)c1
InChIInChI=1S/C20H21FN6O/c21-17-4-5-19(22-11-17)13-27-14-20(23-25-27)12-26-8-6-15(7-9-26)16-2-1-3-18(10-16)24-28/h1-5,10-11,14-15H,6-9,12-13H2
InChIKeyVUHUDYIMJQMFFP-UHFFFAOYSA-N
XLogP3.64
TPSA76.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
The IUPAC name of 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine (CID 155107647) is 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine.
What is the SMILES notation for 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
The canonical SMILES for 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine is O=Nc1cccc(C2CCN(Cc3cn(Cc4ccc(F)cn4)nn3)CC2)c1.
What is the InChIKey of 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
The InChIKey is VUHUDYIMJQMFFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-17-4-5-19(22-11-17)13-27-14-20(23-25-27)12-26-8-6-15(7-9-26)16-2-1-3-18(10-16)24-28/h1-5,10-11,14-15H,6-9,12-13H2.
What are the key properties of 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine?
5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine has a molecular weight of 380.43 g/mol, XLogP of 3.64, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[[4-[[4-(3-nitrosophenyl)piperidin-1-yl]methyl]triazol-1-yl]methyl]pyridine is sourced from PubChem (CID 155107647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).