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

C21H35FN4OSi — CID 140795049

IUPAC2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCN1CCC[C@H]1c1nnc2ccc(F)cn12)(C(C)C)C(C)C
InChIInChI=1S/C21H35FN4OSi/c1-15(2)28(16(3)4,17(5)6)27-13-12-25-11-7-8-19(25)21-24-23-20-10-9-18(22)14-26(20)21/h9-10,14-17,19H,7-8,11-13H2,1-6H3/t19-/m0/s1
InChIKeyJLZFIHKNSOJQPT-IBGZPJMESA-N
MW406.62 g/mol
LogP5.20
Rot. Bonds8

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

2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane (PubChem CID 140795049) has the molecular formula C21H35FN4OSi and a molecular weight of 406.62 g/mol. Its IUPAC name is 2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane.

Molecular Properties

Compound Name2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane
PubChem CID140795049
Molecular FormulaC21H35FN4OSi
Molecular Weight406.62 g/mol
Exact Mass406.26
IUPAC Name2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](OCCN1CCC[C@H]1c1nnc2ccc(F)cn12)(C(C)C)C(C)C
InChIInChI=1S/C21H35FN4OSi/c1-15(2)28(16(3)4,17(5)6)27-13-12-25-11-7-8-19(25)21-24-23-20-10-9-18(22)14-26(20)21/h9-10,14-17,19H,7-8,11-13H2,1-6H3/t19-/m0/s1
InChIKeyJLZFIHKNSOJQPT-IBGZPJMESA-N
XLogP5.20
TPSA42.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.62
LogP ≤ 55.20
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 2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane?
The IUPAC name of 2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane (CID 140795049) is 2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane.
What is the SMILES notation for 2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane?
The canonical SMILES for 2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane is CC(C)[Si](OCCN1CCC[C@H]1c1nnc2ccc(F)cn12)(C(C)C)C(C)C.
What is the InChIKey of 2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane?
The InChIKey is JLZFIHKNSOJQPT-IBGZPJMESA-N. The full InChI is InChI=1S/C21H35FN4OSi/c1-15(2)28(16(3)4,17(5)6)27-13-12-25-11-7-8-19(25)21-24-23-20-10-9-18(22)14-26(20)21/h9-10,14-17,19H,7-8,11-13H2,1-6H3/t19-/m0/s1.
What are the key properties of 2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane?
2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane has a molecular weight of 406.62 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-1-yl]ethoxy-tri(propan-2-yl)silane is sourced from PubChem (CID 140795049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).