tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate

C21H31N5O5 — CID 177037000

IUPACtert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)nn2ccnc12
InChIInChI=1S/C21H31N5O5/c1-20(2,3)30-17(27)14-25(19(28)31-21(4,5)6)15-13-16(24-9-11-29-12-10-24)23-26-8-7-22-18(15)26/h7-8,13H,9-12,14H2,1-6H3
InChIKeyRZUBIZROXMGONN-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.65
Rot. Bonds4

About tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate

tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate (PubChem CID 177037000) has the molecular formula C21H31N5O5 and a molecular weight of 433.51 g/mol. Its IUPAC name is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate
PubChem CID177037000
Molecular FormulaC21H31N5O5
Molecular Weight433.51 g/mol
Exact Mass433.23
IUPAC Nametert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate
SMILESCC(C)(C)OC(=O)CN(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)nn2ccnc12
InChIInChI=1S/C21H31N5O5/c1-20(2,3)30-17(27)14-25(19(28)31-21(4,5)6)15-13-16(24-9-11-29-12-10-24)23-26-8-7-22-18(15)26/h7-8,13H,9-12,14H2,1-6H3
InChIKeyRZUBIZROXMGONN-UHFFFAOYSA-N
XLogP2.65
TPSA98.50 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate?
The IUPAC name of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate (CID 177037000) is tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate.
What is the SMILES notation for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate?
The canonical SMILES for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate is CC(C)(C)OC(=O)CN(C(=O)OC(C)(C)C)c1cc(N2CCOCC2)nn2ccnc12.
What is the InChIKey of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate?
The InChIKey is RZUBIZROXMGONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N5O5/c1-20(2,3)30-17(27)14-25(19(28)31-21(4,5)6)15-13-16(24-9-11-29-12-10-24)23-26-8-7-22-18(15)26/h7-8,13H,9-12,14H2,1-6H3.
What are the key properties of tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate?
tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate has a molecular weight of 433.51 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(2-methylpropan-2-yl)oxycarbonyl-(6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl)amino]acetate is sourced from PubChem (CID 177037000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).