tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane

C21H29Cl2FN4OSi — CID 177330037

IUPACtert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2(CCCN(c3nc(Cl)nc4c(F)c(Cl)ncc34)C2)C1
InChIInChI=1S/C21H29Cl2FN4OSi/c1-20(2,3)30(4,5)29-13-9-21(10-13)7-6-8-28(12-21)18-14-11-25-17(22)15(24)16(14)26-19(23)27-18/h11,13H,6-10,12H2,1-5H3
InChIKeyVRBYPTGKSWFWHH-UHFFFAOYSA-N
MW471.48 g/mol
LogP6.24
Rot. Bonds3

About tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane

tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane (PubChem CID 177330037) has the molecular formula C21H29Cl2FN4OSi and a molecular weight of 471.48 g/mol. Its IUPAC name is tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane.

Molecular Properties

Compound Nametert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane
PubChem CID177330037
Molecular FormulaC21H29Cl2FN4OSi
Molecular Weight471.48 g/mol
Exact Mass470.15
IUPAC Nametert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane
SMILESCC(C)(C)[Si](C)(C)OC1CC2(CCCN(c3nc(Cl)nc4c(F)c(Cl)ncc34)C2)C1
InChIInChI=1S/C21H29Cl2FN4OSi/c1-20(2,3)30(4,5)29-13-9-21(10-13)7-6-8-28(12-21)18-14-11-25-17(22)15(24)16(14)26-19(23)27-18/h11,13H,6-10,12H2,1-5H3
InChIKeyVRBYPTGKSWFWHH-UHFFFAOYSA-N
XLogP6.24
TPSA51.14 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500471.48
LogP ≤ 56.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

2-tert-butyl-8-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-1-oxa-8-azaspiro[3.5]nonane
CID 170320347
(3R)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-3-methylpiperidin-3-ol
CID 164534628
6-(7-chloro-8-fluoro-2-methoxypyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-one
CID 167468683
6-[7-chloro-8-fluoro-2-[[(2S,4R)-4-methoxy-1-methylpyrrolidin-2-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-6-azaspiro[3.5]nonan-2-ol
CID 171613320
tert-butyl N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxy-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]carbamate
CID 174032785
4-[(1R,5S)-1-tert-butyl-3,8-diazabicyclo[3.2.1]octan-3-yl]-2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidine
CID 175943159
7-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-2,7-diazaspiro[4.5]decan-3-one
CID 164534445
[(3S)-1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)piperidin-3-yl]methanol
CID 171783328
1-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-N-(2,2-dimethylpropyl)-5,5-difluoropiperidin-3-amine
CID 174143355
2,7-dichloro-4-[(1R,5S)-8,8-difluoro-3-azabicyclo[3.2.1]octan-3-yl]-8-fluoropyrido[4,3-d]pyrimidine
CID 169228117
9-[7-chloro-8-fluoro-2-[[(2R,8S)-2-fluoro-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1-oxa-9-azaspiro[4.5]decane
CID 167468565
4-[7-chloro-8-fluoro-2-[[(2R,8S)-2-methoxy-1,2,3,5,6,7-hexahydropyrrolizin-8-yl]methoxy]pyrido[4,3-d]pyrimidin-4-yl]-1,4-oxazepane
CID 176594058

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane?
The IUPAC name of tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane (CID 177330037) is tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane.
What is the SMILES notation for tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane?
The canonical SMILES for tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane is CC(C)(C)[Si](C)(C)OC1CC2(CCCN(c3nc(Cl)nc4c(F)c(Cl)ncc34)C2)C1.
What is the InChIKey of tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane?
The InChIKey is VRBYPTGKSWFWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29Cl2FN4OSi/c1-20(2,3)30(4,5)29-13-9-21(10-13)7-6-8-28(12-21)18-14-11-25-17(22)15(24)16(14)26-19(23)27-18/h11,13H,6-10,12H2,1-5H3.
What are the key properties of tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane?
tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane has a molecular weight of 471.48 g/mol, XLogP of 6.24, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[[6-(2,7-dichloro-8-fluoropyrido[4,3-d]pyrimidin-4-yl)-6-azaspiro[3.5]nonan-2-yl]oxy]-dimethylsilane is sourced from PubChem (CID 177330037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).