imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride

C40H46ClF3N10O6 — CID 159947722

IUPACimidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride
SMILESC[C@@H](N)c1ccc(N2CCOCC2)cc1.C[C@@H](NC(=O)c1cn2ncccc2n1)c1ccc(N2CCOCC2)cc1.Cl.O=C(O)c1cn2ncccc2n1.O=CC(F)(F)F
InChIInChI=1S/C19H21N5O2.C12H18N2O.C7H5N3O2.C2HF3O.ClH/c1-14(15-4-6-16(7-5-15)23-9-11-26-12-10-23)21-19(25)17-13-24-18(22-17)3-2-8-20-24;1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14;11-7(12)5-4-10-6(9-5)2-1-3-8-10;3-2(4,5)1-6;/h2-8,13-14H,9-12H2,1H3,(H,21,25);2-5,10H,6-9,13H2,1H3;1-4H,(H,11,12);1H;1H/t14-;10-;;;/m11.../s1
InChIKeyHTAAUHDNKXLRHB-CQGBAILWSA-N
MW855.32 g/mol
LogP5.20
Rot. Bonds7

About imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride

imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride (PubChem CID 159947722) has the molecular formula C40H46ClF3N10O6 and a molecular weight of 855.32 g/mol. Its IUPAC name is imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride.

Molecular Properties

Compound Nameimidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride
PubChem CID159947722
Molecular FormulaC40H46ClF3N10O6
Molecular Weight855.32 g/mol
Exact Mass854.32
IUPAC Nameimidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride
SMILESC[C@@H](N)c1ccc(N2CCOCC2)cc1.C[C@@H](NC(=O)c1cn2ncccc2n1)c1ccc(N2CCOCC2)cc1.Cl.O=C(O)c1cn2ncccc2n1.O=CC(F)(F)F
InChIInChI=1S/C19H21N5O2.C12H18N2O.C7H5N3O2.C2HF3O.ClH/c1-14(15-4-6-16(7-5-15)23-9-11-26-12-10-23)21-19(25)17-13-24-18(22-17)3-2-8-20-24;1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14;11-7(12)5-4-10-6(9-5)2-1-3-8-10;3-2(4,5)1-6;/h2-8,13-14H,9-12H2,1H3,(H,21,25);2-5,10H,6-9,13H2,1H3;1-4H,(H,11,12);1H;1H/t14-;10-;;;/m11.../s1
InChIKeyHTAAUHDNKXLRHB-CQGBAILWSA-N
XLogP5.20
TPSA194.81 Ų
H-Bond Donors3
H-Bond Acceptors14
Rotatable Bonds7
Heavy Atoms60
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500855.32
LogP ≤ 55.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1014

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-fluoro-N-(6-(4-(4-fluorophenyl)-1-(1-(2-morpholinoacetyl)piperidin-4-yl)-1H-imidazol-5-yl)imidazo[1,2-b]pyridazin-2-yl)isonicotinamide
CID 118538744
N-[(1R,2S)-2-fluorocyclopropyl]-8-(methylamino)-6-[1-(2-morpholin-4-ylethyl)pyrrolo[2,3-b]pyridin-3-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 154605216
6-[(2R,4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 56941448
6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-[(6-morpholin-4-yl-2-pyridinyl)methyl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 56942016
[(2R)-4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpiperazin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 58335565
[4-[6-[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]piperazin-1-yl]-[(3R)-morpholin-3-yl]methanone
CID 58335736
6-[(4-aminocyclohexyl)amino]-N-(3-fluoro-4-pyridinyl)-8-[4-(2-morpholin-4-ylethyl)anilino]imidazo[1,2-b]pyridazine-3-carboxamide
CID 59624890
[2-[4-[[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate
CID 66684656
[(2S)-1-[4-[[6-[(2R)-2-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidin-1-yl]-1-oxopropan-2-yl] acetate
CID 66684692
[2-[4-[[6-[2-(3-Fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carbonyl]amino]piperidin-1-yl]-2-oxoethyl] acetate
CID 66689120
6-[(4S)-4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 66694405
6-[4-fluoro-2-(3-fluorophenyl)pyrrolidin-1-yl]-N-(2-morpholin-4-ylethyl)imidazo[1,2-b]pyridazine-3-carboxamide
CID 76468363

Frequently Asked Questions

What is the IUPAC name of imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride?
The IUPAC name of imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride (CID 159947722) is imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride.
What is the SMILES notation for imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride?
The canonical SMILES for imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride is C[C@@H](N)c1ccc(N2CCOCC2)cc1.C[C@@H](NC(=O)c1cn2ncccc2n1)c1ccc(N2CCOCC2)cc1.Cl.O=C(O)c1cn2ncccc2n1.O=CC(F)(F)F.
What is the InChIKey of imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride?
The InChIKey is HTAAUHDNKXLRHB-CQGBAILWSA-N. The full InChI is InChI=1S/C19H21N5O2.C12H18N2O.C7H5N3O2.C2HF3O.ClH/c1-14(15-4-6-16(7-5-15)23-9-11-26-12-10-23)21-19(25)17-13-24-18(22-17)3-2-8-20-24;1-10(13)11-2-4-12(5-3-11)14-6-8-15-9-7-14;11-7(12)5-4-10-6(9-5)2-1-3-8-10;3-2(4,5)1-6;/h2-8,13-14H,9-12H2,1H3,(H,21,25);2-5,10H,6-9,13H2,1H3;1-4H,(H,11,12);1H;1H/t14-;10-;;;/m11.../s1.
What are the key properties of imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride?
imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride has a molecular weight of 855.32 g/mol, XLogP of 5.20, 7 rotatable bonds, 3 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for imidazo[1,2-b]pyridazine-2-carboxylic acid;(1R)-1-(4-morpholin-4-ylphenyl)ethanamine;N-[(1R)-1-(4-morpholin-4-ylphenyl)ethyl]imidazo[1,2-b]pyridazine-2-carboxamide;2,2,2-trifluoroacetaldehyde;hydrochloride is sourced from PubChem (CID 159947722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).