trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane

C24H35N5O2SSi — CID 140745207

IUPACtrimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESCSCc1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3COCC[Si](C)(C)C)nccc12
InChIInChI=1S/C24H35N5O2SSi/c1-18-15-30-11-10-28(18)22-14-19(16-32-2)20-6-8-25-24(23(20)27-22)21-7-9-26-29(21)17-31-12-13-33(3,4)5/h6-9,14,18H,10-13,15-17H2,1-5H3/t18-/m1/s1
InChIKeyKDXMZLIIZVZASY-GOSISDBHSA-N
MW485.73 g/mol
LogP4.89
Rot. Bonds9

About trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane

trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane (PubChem CID 140745207) has the molecular formula C24H35N5O2SSi and a molecular weight of 485.73 g/mol. Its IUPAC name is trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane.

Molecular Properties

Compound Nametrimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane
PubChem CID140745207
Molecular FormulaC24H35N5O2SSi
Molecular Weight485.73 g/mol
Exact Mass485.23
IUPAC Nametrimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane
SMILESCSCc1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3COCC[Si](C)(C)C)nccc12
InChIInChI=1S/C24H35N5O2SSi/c1-18-15-30-11-10-28(18)22-14-19(16-32-2)20-6-8-25-24(23(20)27-22)21-7-9-26-29(21)17-31-12-13-33(3,4)5/h6-9,14,18H,10-13,15-17H2,1-5H3/t18-/m1/s1
InChIKeyKDXMZLIIZVZASY-GOSISDBHSA-N
XLogP4.89
TPSA65.30 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.73
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane?
The IUPAC name of trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane (CID 140745207) is trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane.
What is the SMILES notation for trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane?
The canonical SMILES for trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane is CSCc1cc(N2CCOC[C@H]2C)nc2c(-c3ccnn3COCC[Si](C)(C)C)nccc12.
What is the InChIKey of trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane?
The InChIKey is KDXMZLIIZVZASY-GOSISDBHSA-N. The full InChI is InChI=1S/C24H35N5O2SSi/c1-18-15-30-11-10-28(18)22-14-19(16-32-2)20-6-8-25-24(23(20)27-22)21-7-9-26-29(21)17-31-12-13-33(3,4)5/h6-9,14,18H,10-13,15-17H2,1-5H3/t18-/m1/s1.
What are the key properties of trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane?
trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane has a molecular weight of 485.73 g/mol, XLogP of 4.89, 9 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[2-[[5-[2-[(3R)-3-methylmorpholin-4-yl]-4-(methylsulfanylmethyl)-1,7-naphthyridin-8-yl]pyrazol-1-yl]methoxy]ethyl]silane is sourced from PubChem (CID 140745207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).