2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide

C20H21F3N6O3 — CID 121426238

IUPAC2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1c(Nc2c(CO)nc3c(C(N)=O)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C20H21F3N6O3/c1-11-13(20(21,22)23)3-2-4-14(11)25-19-15(10-30)26-18-12(17(24)31)9-16(27-29(18)19)28-5-7-32-8-6-28/h2-4,9,25,30H,5-8,10H2,1H3,(H2,24,31)
InChIKeyBJALSLPPSRGZKN-UHFFFAOYSA-N
MW450.42 g/mol
LogP2.23
Rot. Bonds5

About 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide

2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide (PubChem CID 121426238) has the molecular formula C20H21F3N6O3 and a molecular weight of 450.42 g/mol. Its IUPAC name is 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide.

Molecular Properties

Compound Name2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
PubChem CID121426238
Molecular FormulaC20H21F3N6O3
Molecular Weight450.42 g/mol
Exact Mass450.16
IUPAC Name2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide
SMILESCc1c(Nc2c(CO)nc3c(C(N)=O)cc(N4CCOCC4)nn23)cccc1C(F)(F)F
InChIInChI=1S/C20H21F3N6O3/c1-11-13(20(21,22)23)3-2-4-14(11)25-19-15(10-30)26-18-12(17(24)31)9-16(27-29(18)19)28-5-7-32-8-6-28/h2-4,9,25,30H,5-8,10H2,1H3,(H2,24,31)
InChIKeyBJALSLPPSRGZKN-UHFFFAOYSA-N
XLogP2.23
TPSA118.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.42
LogP ≤ 52.23
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
The IUPAC name of 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide (CID 121426238) is 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide.
What is the SMILES notation for 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
The canonical SMILES for 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide is Cc1c(Nc2c(CO)nc3c(C(N)=O)cc(N4CCOCC4)nn23)cccc1C(F)(F)F.
What is the InChIKey of 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
The InChIKey is BJALSLPPSRGZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N6O3/c1-11-13(20(21,22)23)3-2-4-14(11)25-19-15(10-30)26-18-12(17(24)31)9-16(27-29(18)19)28-5-7-32-8-6-28/h2-4,9,25,30H,5-8,10H2,1H3,(H2,24,31).
What are the key properties of 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide?
2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide has a molecular weight of 450.42 g/mol, XLogP of 2.23, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-3-[2-methyl-3-(trifluoromethyl)anilino]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-8-carboxamide is sourced from PubChem (CID 121426238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).