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

C19H31FN4OSi — CID 86686993

IUPAC[(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1CCN(c2nnc3ccc(F)cn23)C1)(C(C)C)C(C)C
InChIInChI=1S/C19H31FN4OSi/c1-13(2)26(14(3)4,15(5)6)25-17-9-10-23(12-17)19-22-21-18-8-7-16(20)11-24(18)19/h7-8,11,13-15,17H,9-10,12H2,1-6H3/t17-/m0/s1
InChIKeyPVRSWANJFUATDD-KRWDZBQOSA-N
MW378.57 g/mol
LogP4.64
Rot. Bonds6

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

[(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (PubChem CID 86686993) has the molecular formula C19H31FN4OSi and a molecular weight of 378.57 g/mol. Its IUPAC name is [(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
PubChem CID86686993
Molecular FormulaC19H31FN4OSi
Molecular Weight378.57 g/mol
Exact Mass378.23
IUPAC Name[(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1CCN(c2nnc3ccc(F)cn23)C1)(C(C)C)C(C)C
InChIInChI=1S/C19H31FN4OSi/c1-13(2)26(14(3)4,15(5)6)25-17-9-10-23(12-17)19-22-21-18-8-7-16(20)11-24(18)19/h7-8,11,13-15,17H,9-10,12H2,1-6H3/t17-/m0/s1
InChIKeyPVRSWANJFUATDD-KRWDZBQOSA-N
XLogP4.64
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.57
LogP ≤ 54.64
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
6-Fluoro-3-(2-pyrrolidin-1-yl-ethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86686945
6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl-piperidin-4-ol
CID 86686988
6-Fluoro-3-(4-triisopropylsilanyloxy-piperidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86686989
(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-methyl-(2-triisopropylsilanyloxy-ethyl)-amine
CID 86686991
(S)-1-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-pyrrolidin-3-ol
CID 86686992
[(R)-1-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-pyrrolidin-2-yl]-methanol
CID 86686997
6-Fluoro-3-((S)-2-triisopropylsilanyloxy-pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86686998
[(S)-1-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-pyrrolidin-2-yl]-methanol
CID 86687002
6-Fluoro-3-((S)-2-triisopropylsilanyloxymethyl-pyrrolidin-1-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86687003
6-Fluoro-3-((S)-1-methyl-pyrrolidin-2-yl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86687015
(R)-1-(6-Fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-pyrrolidin-3-ol
CID 86687016

Frequently Asked Questions

What is the IUPAC name of [(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The IUPAC name of [(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane (CID 86686993) is [(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The canonical SMILES for [(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[C@H]1CCN(c2nnc3ccc(F)cn23)C1)(C(C)C)C(C)C.
What is the InChIKey of [(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
The InChIKey is PVRSWANJFUATDD-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H31FN4OSi/c1-13(2)26(14(3)4,15(5)6)25-17-9-10-23(12-17)19-22-21-18-8-7-16(20)11-24(18)19/h7-8,11,13-15,17H,9-10,12H2,1-6H3/t17-/m0/s1.
What are the key properties of [(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane?
[(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 378.57 g/mol, XLogP of 4.64, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-3-yl]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 86686993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).