2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol

C22H28F3N7O2 — CID 121426223

IUPAC2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CNC(C)CO
InChIInChI=1S/C22H28F3N7O2/c1-13(12-33)27-11-15-16(22(23,24)25)4-3-5-18(15)29-20-14(2)28-21-17(26)10-19(30-32(20)21)31-6-8-34-9-7-31/h3-5,10,13,27,29,33H,6-9,11-12,26H2,1-2H3
InChIKeyNCPYJQQXKXKNGP-UHFFFAOYSA-N
MW479.51 g/mol
LogP2.69
Rot. Bonds7

About 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol

2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol (PubChem CID 121426223) has the molecular formula C22H28F3N7O2 and a molecular weight of 479.51 g/mol. Its IUPAC name is 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol.

Molecular Properties

Compound Name2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol
PubChem CID121426223
Molecular FormulaC22H28F3N7O2
Molecular Weight479.51 g/mol
Exact Mass479.23
IUPAC Name2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol
SMILESCc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CNC(C)CO
InChIInChI=1S/C22H28F3N7O2/c1-13(12-33)27-11-15-16(22(23,24)25)4-3-5-18(15)29-20-14(2)28-21-17(26)10-19(30-32(20)21)31-6-8-34-9-7-31/h3-5,10,13,27,29,33H,6-9,11-12,26H2,1-2H3
InChIKeyNCPYJQQXKXKNGP-UHFFFAOYSA-N
XLogP2.69
TPSA112.97 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.51
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The IUPAC name of 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol (CID 121426223) is 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol.
What is the SMILES notation for 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The canonical SMILES for 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol is Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CNC(C)CO.
What is the InChIKey of 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
The InChIKey is NCPYJQQXKXKNGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28F3N7O2/c1-13(12-33)27-11-15-16(22(23,24)25)4-3-5-18(15)29-20-14(2)28-21-17(26)10-19(30-32(20)21)31-6-8-34-9-7-31/h3-5,10,13,27,29,33H,6-9,11-12,26H2,1-2H3.
What are the key properties of 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol?
2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol has a molecular weight of 479.51 g/mol, XLogP of 2.69, 7 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[(8-amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol is sourced from PubChem (CID 121426223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).