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

C20H33FN4OSi — CID 86687003

IUPAC[(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1CCCN1c1nnc2ccc(F)cn12)(C(C)C)C(C)C
InChIInChI=1S/C20H33FN4OSi/c1-14(2)27(15(3)4,16(5)6)26-13-18-8-7-11-24(18)20-23-22-19-10-9-17(21)12-25(19)20/h9-10,12,14-16,18H,7-8,11,13H2,1-6H3/t18-/m0/s1
InChIKeyKFDSJOLTGWLQNI-SFHVURJKSA-N
MW392.60 g/mol
LogP5.03
Rot. Bonds7

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

[(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane (PubChem CID 86687003) has the molecular formula C20H33FN4OSi and a molecular weight of 392.60 g/mol. Its IUPAC name is [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name[(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane
PubChem CID86687003
Molecular FormulaC20H33FN4OSi
Molecular Weight392.60 g/mol
Exact Mass392.24
IUPAC Name[(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OC[C@@H]1CCCN1c1nnc2ccc(F)cn12)(C(C)C)C(C)C
InChIInChI=1S/C20H33FN4OSi/c1-14(2)27(15(3)4,16(5)6)26-13-18-8-7-11-24(18)20-23-22-19-10-9-17(21)12-25(19)20/h9-10,12,14-16,18H,7-8,11,13H2,1-6H3/t18-/m0/s1
InChIKeyKFDSJOLTGWLQNI-SFHVURJKSA-N
XLogP5.03
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
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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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane?
The IUPAC name of [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane (CID 86687003) is [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane.
What is the SMILES notation for [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane?
The canonical SMILES for [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane is CC(C)[Si](OC[C@@H]1CCCN1c1nnc2ccc(F)cn12)(C(C)C)C(C)C.
What is the InChIKey of [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane?
The InChIKey is KFDSJOLTGWLQNI-SFHVURJKSA-N. The full InChI is InChI=1S/C20H33FN4OSi/c1-14(2)27(15(3)4,16(5)6)26-13-18-8-7-11-24(18)20-23-22-19-10-9-17(21)12-25(19)20/h9-10,12,14-16,18H,7-8,11,13H2,1-6H3/t18-/m0/s1.
What are the key properties of [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane?
[(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane has a molecular weight of 392.60 g/mol, XLogP of 5.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]methoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 86687003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).