N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide

C20H30N4O2S2Si — CID 171546315

IUPACN-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide
SMILESCSc1ncc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(NS(C)(=O)=O)nc2n1
InChIInChI=1S/C20H30N4O2S2Si/c1-13(2)29(14(3)4,15(5)6)10-9-16-11-18(24-28(8,25)26)22-19-17(16)12-21-20(23-19)27-7/h11-15H,1-8H3,(H,21,22,23,24)
InChIKeyFKSYQSYULSJNNZ-UHFFFAOYSA-N
MW450.71 g/mol
LogP4.69
Rot. Bonds6

About N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide

N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide (PubChem CID 171546315) has the molecular formula C20H30N4O2S2Si and a molecular weight of 450.71 g/mol. Its IUPAC name is N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide
PubChem CID171546315
Molecular FormulaC20H30N4O2S2Si
Molecular Weight450.71 g/mol
Exact Mass450.16
IUPAC NameN-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide
SMILESCSc1ncc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(NS(C)(=O)=O)nc2n1
InChIInChI=1S/C20H30N4O2S2Si/c1-13(2)29(14(3)4,15(5)6)10-9-16-11-18(24-28(8,25)26)22-19-17(16)12-21-20(23-19)27-7/h11-15H,1-8H3,(H,21,22,23,24)
InChIKeyFKSYQSYULSJNNZ-UHFFFAOYSA-N
XLogP4.69
TPSA84.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.71
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide?
The IUPAC name of N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide (CID 171546315) is N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide.
What is the SMILES notation for N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide?
The canonical SMILES for N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide is CSc1ncc2c(C#C[Si](C(C)C)(C(C)C)C(C)C)cc(NS(C)(=O)=O)nc2n1.
What is the InChIKey of N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide?
The InChIKey is FKSYQSYULSJNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30N4O2S2Si/c1-13(2)29(14(3)4,15(5)6)10-9-16-11-18(24-28(8,25)26)22-19-17(16)12-21-20(23-19)27-7/h11-15H,1-8H3,(H,21,22,23,24).
What are the key properties of N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide?
N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide has a molecular weight of 450.71 g/mol, XLogP of 4.69, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methylsulfanyl-5-[2-tri(propan-2-yl)silylethynyl]pyrido[2,3-d]pyrimidin-7-yl]methanesulfonamide is sourced from PubChem (CID 171546315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).