[8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol

C21H24F3N5O2 — CID 121426222

IUPAC[8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCc1c(Cc2c(CO)nc3c(N)cc(N4CCOC(C)C4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C21H24F3N5O2/c1-12-10-28(6-7-31-12)19-9-16(25)20-26-17(11-30)18(29(20)27-19)8-14-4-3-5-15(13(14)2)21(22,23)24/h3-5,9,12,30H,6-8,10-11,25H2,1-2H3
InChIKeyNBMUVDKTFXKLQH-UHFFFAOYSA-N
MW435.45 g/mol
LogP2.95
Rot. Bonds4

About [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol

[8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol (PubChem CID 121426222) has the molecular formula C21H24F3N5O2 and a molecular weight of 435.45 g/mol. Its IUPAC name is [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol.

Molecular Properties

Compound Name[8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
PubChem CID121426222
Molecular FormulaC21H24F3N5O2
Molecular Weight435.45 g/mol
Exact Mass435.19
IUPAC Name[8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol
SMILESCc1c(Cc2c(CO)nc3c(N)cc(N4CCOC(C)C4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C21H24F3N5O2/c1-12-10-28(6-7-31-12)19-9-16(25)20-26-17(11-30)18(29(20)27-19)8-14-4-3-5-15(13(14)2)21(22,23)24/h3-5,9,12,30H,6-8,10-11,25H2,1-2H3
InChIKeyNBMUVDKTFXKLQH-UHFFFAOYSA-N
XLogP2.95
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.45
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The IUPAC name of [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol (CID 121426222) is [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol.
What is the SMILES notation for [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The canonical SMILES for [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol is Cc1c(Cc2c(CO)nc3c(N)cc(N4CCOC(C)C4)nn23)cccc1C(F)(F)F.
What is the InChIKey of [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
The InChIKey is NBMUVDKTFXKLQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F3N5O2/c1-12-10-28(6-7-31-12)19-9-16(25)20-26-17(11-30)18(29(20)27-19)8-14-4-3-5-15(13(14)2)21(22,23)24/h3-5,9,12,30H,6-8,10-11,25H2,1-2H3.
What are the key properties of [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol?
[8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol has a molecular weight of 435.45 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [8-amino-6-(2-methylmorpholin-4-yl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]imidazo[1,2-b]pyridazin-2-yl]methanol is sourced from PubChem (CID 121426222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).