N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide

C31H47N7O6SSi — CID 165113612

IUPACN-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(NS(C)(=O)=O)cc34)CC2)nc1
InChIInChI=1S/C31H47N7O6SSi/c1-31(2,3)46(5,6)43-16-15-42-25-20-33-30(34-21-25)35-22-7-9-24(10-8-22)44-29-26-17-23(37-45(4,39)40)19-32-27(26)18-28(36-29)38-11-13-41-14-12-38/h17-22,24,37H,7-16H2,1-6H3,(H,33,34,35)
InChIKeyAUDDKKSLCYHAPV-UHFFFAOYSA-N
MW673.91 g/mol
LogP4.83
Rot. Bonds12

About N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide

N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (PubChem CID 165113612) has the molecular formula C31H47N7O6SSi and a molecular weight of 673.91 g/mol. Its IUPAC name is N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
PubChem CID165113612
Molecular FormulaC31H47N7O6SSi
Molecular Weight673.91 g/mol
Exact Mass673.31
IUPAC NameN-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide
SMILESCC(C)(C)[Si](C)(C)OCCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(NS(C)(=O)=O)cc34)CC2)nc1
InChIInChI=1S/C31H47N7O6SSi/c1-31(2,3)46(5,6)43-16-15-42-25-20-33-30(34-21-25)35-22-7-9-24(10-8-22)44-29-26-17-23(37-45(4,39)40)19-32-27(26)18-28(36-29)38-11-13-41-14-12-38/h17-22,24,37H,7-16H2,1-6H3,(H,33,34,35)
InChIKeyAUDDKKSLCYHAPV-UHFFFAOYSA-N
XLogP4.83
TPSA149.92 Ų
H-Bond Donors2
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500673.91
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1012

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 N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The IUPAC name of N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide (CID 165113612) is N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide.
What is the SMILES notation for N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The canonical SMILES for N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is CC(C)(C)[Si](C)(C)OCCOc1cnc(NC2CCC(Oc3nc(N4CCOCC4)cc4ncc(NS(C)(=O)=O)cc34)CC2)nc1.
What is the InChIKey of N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
The InChIKey is AUDDKKSLCYHAPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H47N7O6SSi/c1-31(2,3)46(5,6)43-16-15-42-25-20-33-30(34-21-25)35-22-7-9-24(10-8-22)44-29-26-17-23(37-45(4,39)40)19-32-27(26)18-28(36-29)38-11-13-41-14-12-38/h17-22,24,37H,7-16H2,1-6H3,(H,33,34,35).
What are the key properties of N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide?
N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide has a molecular weight of 673.91 g/mol, XLogP of 4.83, 12 rotatable bonds, 2 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[[5-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]pyrimidin-2-yl]amino]cyclohexyl]oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]methanesulfonamide is sourced from PubChem (CID 165113612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).