tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane

C25H27Cl2N3OSi — CID 164524948

IUPACtert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n1cc2c(Cl)nc(Cl)cc2n1
InChIInChI=1S/C25H27Cl2N3OSi/c1-18(30-16-21-22(29-30)15-23(26)28-24(21)27)17-31-32(25(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18H,17H2,1-4H3/t18-/m0/s1
InChIKeyKFHVDHRUKKNVCE-SFHVURJKSA-N
MW484.50 g/mol
LogP5.88
Rot. Bonds6

About tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane

tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane (PubChem CID 164524948) has the molecular formula C25H27Cl2N3OSi and a molecular weight of 484.50 g/mol. Its IUPAC name is tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane.

Molecular Properties

Compound Nametert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane
PubChem CID164524948
Molecular FormulaC25H27Cl2N3OSi
Molecular Weight484.50 g/mol
Exact Mass483.13
IUPAC Nametert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane
SMILESC[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n1cc2c(Cl)nc(Cl)cc2n1
InChIInChI=1S/C25H27Cl2N3OSi/c1-18(30-16-21-22(29-30)15-23(26)28-24(21)27)17-31-32(25(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18H,17H2,1-4H3/t18-/m0/s1
InChIKeyKFHVDHRUKKNVCE-SFHVURJKSA-N
XLogP5.88
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500484.50
LogP ≤ 55.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
2-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-methylbutanenitrile
CID 135070685
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-2-hydroxy-3-methylbutanal
CID 134973268
5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-3-oxopentanoic acid
CID 22100308
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
tert-butyl-(3-iodo-2-methylpropoxy)-diphenylsilane
CID 14262200
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
[1-[tert-butyl(diphenyl)silyl]oxypropan-2-ylamino]methanol
CID 21062594
4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutanenitrile
CID 78163046

Frequently Asked Questions

What is the IUPAC name of tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane?
The IUPAC name of tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane (CID 164524948) is tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane.
What is the SMILES notation for tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane?
The canonical SMILES for tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane is C[C@@H](CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)n1cc2c(Cl)nc(Cl)cc2n1.
What is the InChIKey of tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane?
The InChIKey is KFHVDHRUKKNVCE-SFHVURJKSA-N. The full InChI is InChI=1S/C25H27Cl2N3OSi/c1-18(30-16-21-22(29-30)15-23(26)28-24(21)27)17-31-32(25(2,3)4,19-11-7-5-8-12-19)20-13-9-6-10-14-20/h5-16,18H,17H2,1-4H3/t18-/m0/s1.
What are the key properties of tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane?
tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane has a molecular weight of 484.50 g/mol, XLogP of 5.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl-[(2S)-2-(4,6-dichloropyrazolo[4,3-c]pyridin-2-yl)propoxy]-diphenylsilane is sourced from PubChem (CID 164524948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).