2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone

C30H43N3O3Si — CID 161282088

IUPAC2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone
SMILESCC(C)c1cc2nc(C(=O)Cc3cnccc3N3C[C@@H](C)C(O[Si](C)(C)C(C)(C)C)[C@@H](C)C3)ccc2o1
InChIInChI=1S/C30H43N3O3Si/c1-19(2)28-15-24-27(35-28)11-10-23(32-24)26(34)14-22-16-31-13-12-25(22)33-17-20(3)29(21(4)18-33)36-37(8,9)30(5,6)7/h10-13,15-16,19-21,29H,14,17-18H2,1-9H3/t20-,21+,29?
InChIKeyVFFNNOKJCOQGQP-BTKIAVBMSA-N
MW521.78 g/mol
LogP7.25
Rot. Bonds7

About 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone

2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone (PubChem CID 161282088) has the molecular formula C30H43N3O3Si and a molecular weight of 521.78 g/mol. Its IUPAC name is 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone
PubChem CID161282088
Molecular FormulaC30H43N3O3Si
Molecular Weight521.78 g/mol
Exact Mass521.31
IUPAC Name2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone
SMILESCC(C)c1cc2nc(C(=O)Cc3cnccc3N3C[C@@H](C)C(O[Si](C)(C)C(C)(C)C)[C@@H](C)C3)ccc2o1
InChIInChI=1S/C30H43N3O3Si/c1-19(2)28-15-24-27(35-28)11-10-23(32-24)26(34)14-22-16-31-13-12-25(22)33-17-20(3)29(21(4)18-33)36-37(8,9)30(5,6)7/h10-13,15-16,19-21,29H,14,17-18H2,1-9H3/t20-,21+,29?
InChIKeyVFFNNOKJCOQGQP-BTKIAVBMSA-N
XLogP7.25
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500521.78
LogP ≤ 57.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone?
The IUPAC name of 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone (CID 161282088) is 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone?
The canonical SMILES for 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone is CC(C)c1cc2nc(C(=O)Cc3cnccc3N3C[C@@H](C)C(O[Si](C)(C)C(C)(C)C)[C@@H](C)C3)ccc2o1.
What is the InChIKey of 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone?
The InChIKey is VFFNNOKJCOQGQP-BTKIAVBMSA-N. The full InChI is InChI=1S/C30H43N3O3Si/c1-19(2)28-15-24-27(35-28)11-10-23(32-24)26(34)14-22-16-31-13-12-25(22)33-17-20(3)29(21(4)18-33)36-37(8,9)30(5,6)7/h10-13,15-16,19-21,29H,14,17-18H2,1-9H3/t20-,21+,29?.
What are the key properties of 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone?
2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone has a molecular weight of 521.78 g/mol, XLogP of 7.25, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(3R,5S)-4-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylpiperidin-1-yl]-3-pyridinyl]-1-(2-propan-2-ylfuro[3,2-b]pyridin-5-yl)ethanone is sourced from PubChem (CID 161282088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).