6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

C45H45F5N12O2 — CID 177038488

IUPAC6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN(CCN6CCC7(CC6)CCN(c6nc8c(F)cc(-c9cc(C(F)(F)F)c%10nc(C)cn%10n9)cc8o6)C7)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C45H45F5N12O2/c1-25-16-34(56-61-22-26(2)51-40(25)61)28-17-32(46)38-36(19-28)63-42(54-38)53-30-4-9-58(10-5-30)14-15-59-11-6-44(7-12-59)8-13-60(24-44)43-55-39-33(47)18-29(20-37(39)64-43)35-21-31(45(48,49)50)41-52-27(3)23-62(41)57-35/h16-23,30H,4-15,24H2,1-3H3,(H,53,54)
InChIKeyBLTDFBFQXOOYMA-UHFFFAOYSA-N
MW880.93 g/mol
LogP8.48
Rot. Bonds8

About 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine

6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (PubChem CID 177038488) has the molecular formula C45H45F5N12O2 and a molecular weight of 880.93 g/mol. Its IUPAC name is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
PubChem CID177038488
Molecular FormulaC45H45F5N12O2
Molecular Weight880.93 g/mol
Exact Mass880.37
IUPAC Name6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine
SMILESCc1cn2nc(-c3cc(F)c4nc(NC5CCN(CCN6CCC7(CC6)CCN(c6nc8c(F)cc(-c9cc(C(F)(F)F)c%10nc(C)cn%10n9)cc8o6)C7)CC5)oc4c3)cc(C)c2n1
InChIInChI=1S/C45H45F5N12O2/c1-25-16-34(56-61-22-26(2)51-40(25)61)28-17-32(46)38-36(19-28)63-42(54-38)53-30-4-9-58(10-5-30)14-15-59-11-6-44(7-12-59)8-13-60(24-44)43-55-39-33(47)18-29(20-37(39)64-43)35-21-31(45(48,49)50)41-52-27(3)23-62(41)57-35/h16-23,30H,4-15,24H2,1-3H3,(H,53,54)
InChIKeyBLTDFBFQXOOYMA-UHFFFAOYSA-N
XLogP8.48
TPSA134.19 Ų
H-Bond Donors1
H-Bond Acceptors14
Rotatable Bonds8
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500880.93
LogP ≤ 58.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1014

Analyze 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine 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

US9580432, Example P-l
CID 137528697
1-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-N,N-dimethylpiperidin-4-amine
CID 170594036
[2-[(1,3-Benzoxazol-2-ylamino)methyl]-3-[[2-[6-methyl-2-[3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidine-1-carbonyl]-3-pyridinyl]-4-pyridinyl]methyl]piperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 123470594
[2-[[(5-Fluoro-1,3-benzoxazol-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-[2-[4-[1-[5-fluoro-2-(triazol-2-yl)benzoyl]-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-4-yl]pyrimidin-2-yl]-5-methylphenyl]methanone
CID 123937600
[(2S,3R)-2-[(1,3-benzoxazol-2-ylamino)methyl]-3-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;ethane;(6-methyl-3-pyridin-2-yl-2-pyridinyl)-[(2S,3R)-3-methyl-2-[[[5-(trifluoromethyl)-2-pyridinyl]amino]methyl]piperidin-1-yl]methanone
CID 144902874
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[5-methyl-3-(triazol-2-yl)-2-pyridinyl]methanone;[4-methyl-2-(triazol-2-yl)phenyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]piperidin-1-yl]methanone;[5-methyl-3-(triazol-2-yl)-2-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 157063478
[6-(2-amino-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3S)-3-fluoropyrrolidin-1-yl]methanone;(3,3-difluoroazetidin-1-yl)-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[(3R)-3-fluoropyrrolidin-1-yl]-[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]methanone;[6-(2-methyl-1,3-benzoxazol-5-yl)imidazo[1,2-a]pyridin-3-yl]-[(3R)-3-pyrazol-1-ylpyrrolidin-1-yl]methanone;N-methyl-6-(2-methyl-1,3-benzoxazol-5-yl)-N-(oxan-4-yl)imidazo[1,2-a]pyridine-3-carboxamide
CID 157093503
1-[4-(4,6-Dimethyl-2-pyridinyl)-1-methylpyrazol-5-yl]-2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(5-fluoro-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[4-(3-methoxy-2-pyridinyl)-1-methylpyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-(6-methylpyrazin-2-yl)pyrazol-5-yl]ethanone;2-(6-fluoro-2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1-[1-methyl-4-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]ethanone
CID 157243843
N-(2,2-difluoroethyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-[2-(dimethylamino)ethyl]-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;N-(3-fluoropropyl)-3-methoxy-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]benzamide;3-methoxy-N-methyl-4-[(6-methyl-[1,2,4]triazolo[1,5-a]pyridin-2-yl)amino]-N-(2,2,2-trifluoroethyl)benzamide
CID 158293306
N-(2-amino-2-methylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-methylbenzamide;4-[[8-(3-fluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-piperidin-4-ylbenzamide;N-(3-morpholin-4-ylpropyl)-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158294318
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-1-yl)-3-pyridinyl]methanone;[(2S,3R)-3-(1,3-benzoxazol-2-ylamino)-2-methylpiperidin-1-yl]-[6-methyl-2-(triazol-2-yl)-3-pyridinyl]methanone;[6-methyl-2-(triazol-2-yl)-3-pyridinyl]-[(2S,3R)-2-methyl-3-[[5-(trifluoromethyl)pyrazin-2-yl]amino]piperidin-1-yl]methanone
CID 158753757

Frequently Asked Questions

What is the IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The IUPAC name of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine (CID 177038488) is 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is Cc1cn2nc(-c3cc(F)c4nc(NC5CCN(CCN6CCC7(CC6)CCN(c6nc8c(F)cc(-c9cc(C(F)(F)F)c%10nc(C)cn%10n9)cc8o6)C7)CC5)oc4c3)cc(C)c2n1.
What is the InChIKey of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
The InChIKey is BLTDFBFQXOOYMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H45F5N12O2/c1-25-16-34(56-61-22-26(2)51-40(25)61)28-17-32(46)38-36(19-28)63-42(54-38)53-30-4-9-58(10-5-30)14-15-59-11-6-44(7-12-59)8-13-60(24-44)43-55-39-33(47)18-29(20-37(39)64-43)35-21-31(45(48,49)50)41-52-27(3)23-62(41)57-35/h16-23,30H,4-15,24H2,1-3H3,(H,53,54).
What are the key properties of 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine?
6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine has a molecular weight of 880.93 g/mol, XLogP of 8.48, 8 rotatable bonds, 1 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-fluoro-N-[1-[2-[2-[4-fluoro-6-[2-methyl-8-(trifluoromethyl)imidazo[1,2-b]pyridazin-6-yl]-1,3-benzoxazol-2-yl]-2,8-diazaspiro[4.5]decan-8-yl]ethyl]piperidin-4-yl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 177038488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).