2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

C20H21F4N5O — CID 121426384

IUPAC2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1c(Cc2c(CF)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C20H21F4N5O/c1-12-13(3-2-4-14(12)20(22,23)24)9-17-16(11-21)26-19-15(25)10-18(27-29(17)19)28-5-7-30-8-6-28/h2-4,10H,5-9,11,25H2,1H3
InChIKeyUBYDXKLDPGXVQW-UHFFFAOYSA-N
MW423.41 g/mol
LogP3.54
Rot. Bonds4

About 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine

2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (PubChem CID 121426384) has the molecular formula C20H21F4N5O and a molecular weight of 423.41 g/mol. Its IUPAC name is 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.

Molecular Properties

Compound Name2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
PubChem CID121426384
Molecular FormulaC20H21F4N5O
Molecular Weight423.41 g/mol
Exact Mass423.17
IUPAC Name2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine
SMILESCc1c(Cc2c(CF)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C20H21F4N5O/c1-12-13(3-2-4-14(12)20(22,23)24)9-17-16(11-21)26-19-15(25)10-18(27-29(17)19)28-5-7-30-8-6-28/h2-4,10H,5-9,11,25H2,1H3
InChIKeyUBYDXKLDPGXVQW-UHFFFAOYSA-N
XLogP3.54
TPSA68.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.41
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The IUPAC name of 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine (CID 121426384) is 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine.
What is the SMILES notation for 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The canonical SMILES for 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is Cc1c(Cc2c(CF)nc3c(N)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.
What is the InChIKey of 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
The InChIKey is UBYDXKLDPGXVQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F4N5O/c1-12-13(3-2-4-14(12)20(22,23)24)9-17-16(11-21)26-19-15(25)10-18(27-29(17)19)28-5-7-30-8-6-28/h2-4,10H,5-9,11,25H2,1H3.
What are the key properties of 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine?
2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine has a molecular weight of 423.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(fluoromethyl)-3-[[2-methyl-3-(trifluoromethyl)phenyl]methyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-amine is sourced from PubChem (CID 121426384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).