4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine

C22H28N6OSi — CID 170967986

IUPAC4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)ncc1-c1cc2cnc(N)cc2n2ncnc12
InChIInChI=1S/C22H28N6OSi/c1-14-7-16(12-29-30(5,6)22(2,3)4)24-11-18(14)17-8-15-10-25-20(23)9-19(15)28-21(17)26-13-27-28/h7-11,13H,12H2,1-6H3,(H2,23,25)
InChIKeyKFNWIBPOIXQLIX-UHFFFAOYSA-N
MW420.59 g/mol
LogP4.75
Rot. Bonds4

About 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine

4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine (PubChem CID 170967986) has the molecular formula C22H28N6OSi and a molecular weight of 420.59 g/mol. Its IUPAC name is 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine.

Molecular Properties

Compound Name4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine
PubChem CID170967986
Molecular FormulaC22H28N6OSi
Molecular Weight420.59 g/mol
Exact Mass420.21
IUPAC Name4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine
SMILESCc1cc(CO[Si](C)(C)C(C)(C)C)ncc1-c1cc2cnc(N)cc2n2ncnc12
InChIInChI=1S/C22H28N6OSi/c1-14-7-16(12-29-30(5,6)22(2,3)4)24-11-18(14)17-8-15-10-25-20(23)9-19(15)28-21(17)26-13-27-28/h7-11,13H,12H2,1-6H3,(H2,23,25)
InChIKeyKFNWIBPOIXQLIX-UHFFFAOYSA-N
XLogP4.75
TPSA91.22 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.59
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine?
The IUPAC name of 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine (CID 170967986) is 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine.
What is the SMILES notation for 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine?
The canonical SMILES for 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine is Cc1cc(CO[Si](C)(C)C(C)(C)C)ncc1-c1cc2cnc(N)cc2n2ncnc12.
What is the InChIKey of 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine?
The InChIKey is KFNWIBPOIXQLIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6OSi/c1-14-7-16(12-29-30(5,6)22(2,3)4)24-11-18(14)17-8-15-10-25-20(23)9-19(15)28-21(17)26-13-27-28/h7-11,13H,12H2,1-6H3,(H2,23,25).
What are the key properties of 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine?
4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine has a molecular weight of 420.59 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[[tert-butyl(dimethyl)silyl]oxymethyl]-4-methyl-3-pyridinyl]-[1,2,4]triazolo[1,5-a][1,6]naphthyridin-8-amine is sourced from PubChem (CID 170967986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).