[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol

C29H36ClFN2O3Si — CID 77291465

IUPAC[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol
SMILESCC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc(CO)c(F)c2Cl)CC(C)O1
InChIInChI=1S/C29H36ClFN2O3Si/c1-20-16-33(17-21(2)36-20)28-25(32-24(18-34)27(31)26(28)30)19-35-37(29(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,34H,16-19H2,1-5H3
InChIKeyFFRXNZVLDPSDDO-UHFFFAOYSA-N
MW543.16 g/mol
LogP5.06
Rot. Bonds7

About [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol

[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol (PubChem CID 77291465) has the molecular formula C29H36ClFN2O3Si and a molecular weight of 543.16 g/mol. Its IUPAC name is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol.

Molecular Properties

Compound Name[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol
PubChem CID77291465
Molecular FormulaC29H36ClFN2O3Si
Molecular Weight543.16 g/mol
Exact Mass542.22
IUPAC Name[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol
SMILESCC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc(CO)c(F)c2Cl)CC(C)O1
InChIInChI=1S/C29H36ClFN2O3Si/c1-20-16-33(17-21(2)36-20)28-25(32-24(18-34)27(31)26(28)30)19-35-37(29(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,34H,16-19H2,1-5H3
InChIKeyFFRXNZVLDPSDDO-UHFFFAOYSA-N
XLogP5.06
TPSA54.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500543.16
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]-(1,3-thiazol-5-yl)methanol
CID 77272587
(NZ)-N-[1-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-2-methoxyethylidene]hydroxylamine
CID 87398833
4-[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-3-fluoropyridine-2-carbonyl]-2-fluorobenzonitrile
CID 67357926
ethyl 5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-[1,2]oxazolo[4,5-b]pyridine-3-carboxylate
CID 67356857
[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyrimidin-4-ylmethanone
CID 86717859
N-benzyl-5-[[tert-butyl(diphenyl)silyl]oxymethyl]-7-chloro-6-(2,6-dimethylmorpholin-4-yl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide
CID 77272385
methyl 2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-(2,6-dimethylmorpholin-4-yl)-2,3-difluorophenyl]acetate
CID 87770548
[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-(1,3-thiazol-5-yl)methanol
CID 86717852
[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]-pyridazin-4-ylmethanone
CID 86717861
2-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorophenyl]-2-oxoacetic acid
CID 86658068
5-[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-3-chloro-4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-fluorophenyl]pyrimidine-2-carbaldehyde
CID 131731212
[5-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-2,3-difluorophenyl]-(2-fluorophenyl)methanone
CID 86658074

Frequently Asked Questions

What is the IUPAC name of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol?
The IUPAC name of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol (CID 77291465) is [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol.
What is the SMILES notation for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol?
The canonical SMILES for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol is CC1CN(c2c(CO[Si](c3ccccc3)(c3ccccc3)C(C)(C)C)nc(CO)c(F)c2Cl)CC(C)O1.
What is the InChIKey of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol?
The InChIKey is FFRXNZVLDPSDDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClFN2O3Si/c1-20-16-33(17-21(2)36-20)28-25(32-24(18-34)27(31)26(28)30)19-35-37(29(3,4)5,22-12-8-6-9-13-22)23-14-10-7-11-15-23/h6-15,20-21,34H,16-19H2,1-5H3.
What are the key properties of [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol?
[6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol has a molecular weight of 543.16 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[[tert-butyl(diphenyl)silyl]oxymethyl]-4-chloro-5-(2,6-dimethylmorpholin-4-yl)-3-fluoro-2-pyridinyl]methanol is sourced from PubChem (CID 77291465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).