(4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

C25H36N4O4SSi — CID 171546623

IUPAC(4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1c1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cnc(S(C)(=O)=O)nc2n1
InChIInChI=1S/C25H36N4O4SSi/c1-15(2)21-14-33-25(30)29(21)22-12-19(10-11-35(16(3)4,17(5)6)18(7)8)20-13-26-24(34(9,31)32)28-23(20)27-22/h12-13,15-18,21H,14H2,1-9H3/t21-/m0/s1
InChIKeyOFYHALMVNDJGEH-NRFANRHFSA-N
MW516.74 g/mol
LogP4.98
Rot. Bonds6

About (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 171546623) has the molecular formula C25H36N4O4SSi and a molecular weight of 516.74 g/mol. Its IUPAC name is (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID171546623
Molecular FormulaC25H36N4O4SSi
Molecular Weight516.74 g/mol
Exact Mass516.22
IUPAC Name(4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1COC(=O)N1c1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cnc(S(C)(=O)=O)nc2n1
InChIInChI=1S/C25H36N4O4SSi/c1-15(2)21-14-33-25(30)29(21)22-12-19(10-11-35(16(3)4,17(5)6)18(7)8)20-13-26-24(34(9,31)32)28-23(20)27-22/h12-13,15-18,21H,14H2,1-9H3/t21-/m0/s1
InChIKeyOFYHALMVNDJGEH-NRFANRHFSA-N
XLogP4.98
TPSA102.35 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.74
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 171546623) is (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@@H]1COC(=O)N1c1cc(C#C[Si](C(C)C)(C(C)C)C(C)C)c2cnc(S(C)(=O)=O)nc2n1.
What is the InChIKey of (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OFYHALMVNDJGEH-NRFANRHFSA-N. The full InChI is InChI=1S/C25H36N4O4SSi/c1-15(2)21-14-33-25(30)29(21)22-12-19(10-11-35(16(3)4,17(5)6)18(7)8)20-13-26-24(34(9,31)32)28-23(20)27-22/h12-13,15-18,21H,14H2,1-9H3/t21-/m0/s1.
What are the key properties of (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 516.74 g/mol, XLogP of 4.98, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[2-methylsulfonyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 171546623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).