[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane

C20H33FN4OSi — CID 86686989

IUPAC[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1CCN(c2nnc3ccc(F)cn23)CC1)(C(C)C)C(C)C
InChIInChI=1S/C20H33FN4OSi/c1-14(2)27(15(3)4,16(5)6)26-18-9-11-24(12-10-18)20-23-22-19-8-7-17(21)13-25(19)20/h7-8,13-16,18H,9-12H2,1-6H3
InChIKeyIXNWSKQSWUSWLS-UHFFFAOYSA-N
MW392.60 g/mol
LogP5.03
Rot. Bonds6

About [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane

[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane (PubChem CID 86686989) has the molecular formula C20H33FN4OSi and a molecular weight of 392.60 g/mol. Its IUPAC name is [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane
PubChem CID86686989
Molecular FormulaC20H33FN4OSi
Molecular Weight392.60 g/mol
Exact Mass392.24
IUPAC Name[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC1CCN(c2nnc3ccc(F)cn23)CC1)(C(C)C)C(C)C
InChIInChI=1S/C20H33FN4OSi/c1-14(2)27(15(3)4,16(5)6)26-18-9-11-24(12-10-18)20-23-22-19-8-7-17(21)13-25(19)20/h7-8,13-16,18H,9-12H2,1-6H3
InChIKeyIXNWSKQSWUSWLS-UHFFFAOYSA-N
XLogP5.03
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.60
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

1-[Methyl([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)amino]butan-2-ol
CID 71976091
N-methyl-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)pyridin-2-amine
CID 72015658
3-fluoro-N-[3-([1,2,4]triazolo[4,3-a]pyridin-3-yl)propyl]pyridin-2-amine
CID 86805468
6-Fluoro-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 58783963
1-[4-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-1-yl]ethanone
CID 68211717
6-Fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 68301680
6-Fluoro-3-[2-(4-methyl-piperazin-1-yl)-ethyl]-[1,2,4]triazolo[4,3-a]pyridine
CID 86686948
6-Fluoro-3-piperidin-1-yl-[1,2,4]triazolo[4,3-a]pyridine
CID 86686951
4-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-piperidine-1-carboxylic acid tert-butyl ester
CID 86686953
4-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-piperazine-1-carboxylic acid tert-butyl ester
CID 86686957
6-Fluoro-3-(4-methyl-piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86686971
4-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)-piperidine-1-carboxylic acid tert-butyl ester
CID 86686982

Frequently Asked Questions

What is the IUPAC name of [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane (CID 86686989) is [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](OC1CCN(c2nnc3ccc(F)cn23)CC1)(C(C)C)C(C)C.
What is the InChIKey of [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is IXNWSKQSWUSWLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H33FN4OSi/c1-14(2)27(15(3)4,16(5)6)26-18-9-11-24(12-10-18)20-23-22-19-8-7-17(21)13-25(19)20/h7-8,13-16,18H,9-12H2,1-6H3.
What are the key properties of [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane?
[1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 392.60 g/mol, XLogP of 5.03, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)piperidin-4-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 86686989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).