dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane

C61H65BBr3Cs2F2N21O9S — CID 159342248

IUPACdicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane
SMILESBrB(Br)Br.COc1cccc2c1nc(N)n1nc(CN3CCc4cccnc4C3)nc21.CS(=O)(=O)OCCF.Nc1nc2c(O)cccc2c2nc(CN3CCc4cccnc4C3)nn12.Nc1nc2c(OCCF)cccc2c2nc(CN3CCc4cccnc4C3)nn12.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C20H20FN7O.C19H19N7O.C18H17N7O.C3H7FO3S.CH2O3.BBr3.2Cs.H/c21-7-10-29-16-5-1-4-14-18(16)25-20(22)28-19(14)24-17(26-28)12-27-9-6-13-3-2-8-23-15(13)11-27;1-27-15-6-2-5-13-17(15)23-19(20)26-18(13)22-16(24-26)11-25-9-7-12-4-3-8-21-14(12)10-25;19-18-22-16-12(4-1-5-14(16)26)17-21-15(23-25(17)18)10-24-8-6-11-3-2-7-20-13(11)9-24;1-8(5,6)7-3-2-4;2-1-4-3;2-1(3)4;;;/h1-5,8H,6-7,9-12H2,(H2,22,25);2-6,8H,7,9-11H2,1H3,(H2,20,23);1-5,7,26H,6,8-10H2,(H2,19,22);2-3H2,1H3;1,3H;;;;/q;;;;;;2*+1;-1/p-1
InChIKeyKAFXFYSZJJOUTG-UHFFFAOYSA-M
MW1822.73 g/mol
LogP0.14
Rot. Bonds14

About dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane

dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane (PubChem CID 159342248) has the molecular formula C61H65BBr3Cs2F2N21O9S and a molecular weight of 1822.73 g/mol. Its IUPAC name is dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane.

Molecular Properties

Compound Namedicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane
PubChem CID159342248
Molecular FormulaC61H65BBr3Cs2F2N21O9S
Molecular Weight1822.73 g/mol
Exact Mass1819.07
IUPAC Namedicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane
SMILESBrB(Br)Br.COc1cccc2c1nc(N)n1nc(CN3CCc4cccnc4C3)nc21.CS(=O)(=O)OCCF.Nc1nc2c(O)cccc2c2nc(CN3CCc4cccnc4C3)nn12.Nc1nc2c(OCCF)cccc2c2nc(CN3CCc4cccnc4C3)nn12.O=CO[O-].[Cs+].[Cs+].[H-]
InChIInChI=1S/C20H20FN7O.C19H19N7O.C18H17N7O.C3H7FO3S.CH2O3.BBr3.2Cs.H/c21-7-10-29-16-5-1-4-14-18(16)25-20(22)28-19(14)24-17(26-28)12-27-9-6-13-3-2-8-23-15(13)11-27;1-27-15-6-2-5-13-17(15)23-19(20)26-18(13)22-16(24-26)11-25-9-7-12-4-3-8-21-14(12)10-25;19-18-22-16-12(4-1-5-14(16)26)17-21-15(23-25(17)18)10-24-8-6-11-3-2-7-20-13(11)9-24;1-8(5,6)7-3-2-4;2-1-4-3;2-1(3)4;;;/h1-5,8H,6-7,9-12H2,(H2,22,25);2-6,8H,7,9-11H2,1H3,(H2,20,23);1-5,7,26H,6,8-10H2,(H2,19,22);2-3H2,1H3;1,3H;;;;/q;;;;;;2*+1;-1/p-1
InChIKeyKAFXFYSZJJOUTG-UHFFFAOYSA-M
XLogP0.14
TPSA387.11 Ų
H-Bond Donors4
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms100
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001822.73
LogP ≤ 50.14
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_1', 'substructure': 'N/A'}

Analyze dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane with MolForge

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Frequently Asked Questions

What is the IUPAC name of dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane?
The IUPAC name of dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane (CID 159342248) is dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane.
What is the SMILES notation for dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane?
The canonical SMILES for dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane is BrB(Br)Br.COc1cccc2c1nc(N)n1nc(CN3CCc4cccnc4C3)nc21.CS(=O)(=O)OCCF.Nc1nc2c(O)cccc2c2nc(CN3CCc4cccnc4C3)nn12.Nc1nc2c(OCCF)cccc2c2nc(CN3CCc4cccnc4C3)nn12.O=CO[O-].[Cs+].[Cs+].[H-].
What is the InChIKey of dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane?
The InChIKey is KAFXFYSZJJOUTG-UHFFFAOYSA-M. The full InChI is InChI=1S/C20H20FN7O.C19H19N7O.C18H17N7O.C3H7FO3S.CH2O3.BBr3.2Cs.H/c21-7-10-29-16-5-1-4-14-18(16)25-20(22)28-19(14)24-17(26-28)12-27-9-6-13-3-2-8-23-15(13)11-27;1-27-15-6-2-5-13-17(15)23-19(20)26-18(13)22-16(24-26)11-25-9-7-12-4-3-8-21-14(12)10-25;19-18-22-16-12(4-1-5-14(16)26)17-21-15(23-25(17)18)10-24-8-6-11-3-2-7-20-13(11)9-24;1-8(5,6)7-3-2-4;2-1-4-3;2-1(3)4;;;/h1-5,8H,6-7,9-12H2,(H2,22,25);2-6,8H,7,9-11H2,1H3,(H2,20,23);1-5,7,26H,6,8-10H2,(H2,19,22);2-3H2,1H3;1,3H;;;;/q;;;;;;2*+1;-1/p-1.
What are the key properties of dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane?
dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane has a molecular weight of 1822.73 g/mol, XLogP of 0.14, 14 rotatable bonds, 4 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for dicesium;5-amino-2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-[1,2,4]triazolo[1,5-c]quinazolin-7-ol;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-(2-fluoroethoxy)-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-(6,8-dihydro-5H-1,7-naphthyridin-7-ylmethyl)-7-methoxy-[1,2,4]triazolo[1,5-c]quinazolin-5-amine;2-fluoroethyl methanesulfonate;hydride;oxido formate;tribromoborane is sourced from PubChem (CID 159342248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).