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

C19H31FN4OSi — CID 86686998

IUPAC[(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1CCCN1c1nnc2ccc(F)cn12)(C(C)C)C(C)C
InChIInChI=1S/C19H31FN4OSi/c1-13(2)26(14(3)4,15(5)6)25-18-8-7-11-23(18)19-22-21-17-10-9-16(20)12-24(17)19/h9-10,12-15,18H,7-8,11H2,1-6H3/t18-/m0/s1
InChIKeyCBPNRRGGSAYBKX-SFHVURJKSA-N
MW378.57 g/mol
LogP4.99
Rot. Bonds6

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

[(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]oxy-tri(propan-2-yl)silane (PubChem CID 86686998) has the molecular formula C19H31FN4OSi and a molecular weight of 378.57 g/mol. Its IUPAC name is [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]oxy-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]oxy-tri(propan-2-yl)silane
PubChem CID86686998
Molecular FormulaC19H31FN4OSi
Molecular Weight378.57 g/mol
Exact Mass378.23
IUPAC Name[(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]oxy-tri(propan-2-yl)silane
SMILESCC(C)[Si](O[C@H]1CCCN1c1nnc2ccc(F)cn12)(C(C)C)C(C)C
InChIInChI=1S/C19H31FN4OSi/c1-13(2)26(14(3)4,15(5)6)25-18-8-7-11-23(18)19-22-21-17-10-9-16(20)12-24(17)19/h9-10,12-15,18H,7-8,11H2,1-6H3/t18-/m0/s1
InChIKeyCBPNRRGGSAYBKX-SFHVURJKSA-N
XLogP4.99
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 ≤ 54.99
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

3-Ethyl[1,2,4]triazolo[4,3-a]pyridine
CID 249772
3-Propyl[1,2,4]triazolo[4,3-a]pyridine
CID 253288
3-[3-(2,2,2-Trifluoroethoxy)propoxy]-[1,2,4]triazolo[4,3-a]pyridine
CID 72128297
6-Fluoro-3-isopropyl-[1,2,4]triazolo[4,3-a]pyridine
CID 58783963
6-Fluoro-3-methyl-[1,2,4]triazolo[4,3-a]pyridine
CID 68301680
6-Fluoro-3-(2-pyrrolidin-1-yl-ethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86686945
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
6-Fluoro-3-(4-methyl-piperazin-1-ylmethyl)-[1,2,4]triazolo[4,3-a]pyridine
CID 86686971
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

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]oxy-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]oxy-tri(propan-2-yl)silane (CID 86686998) is [(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]oxy-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]oxy-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]oxy-tri(propan-2-yl)silane is CC(C)[Si](O[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]oxy-tri(propan-2-yl)silane?
The InChIKey is CBPNRRGGSAYBKX-SFHVURJKSA-N. The full InChI is InChI=1S/C19H31FN4OSi/c1-13(2)26(14(3)4,15(5)6)25-18-8-7-11-23(18)19-22-21-17-10-9-16(20)12-24(17)19/h9-10,12-15,18H,7-8,11H2,1-6H3/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]oxy-tri(propan-2-yl)silane?
[(2S)-1-(6-fluoro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)pyrrolidin-2-yl]oxy-tri(propan-2-yl)silane has a molecular weight of 378.57 g/mol, XLogP of 4.99, 6 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]oxy-tri(propan-2-yl)silane is sourced from PubChem (CID 86686998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).