N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide

C27H33F3N8O3S — CID 121426386

IUPACN'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide
SMILESCc1nc2c(/N=C/N(C)C)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CC2(CCS2(=O)=O)C1
InChIInChI=1S/C27H33F3N8O3S/c1-18-24(38-25(32-18)22(31-17-35(2)3)13-23(34-38)37-8-10-41-11-9-37)33-21-6-4-5-20(27(28,29)30)19(21)14-36-15-26(16-36)7-12-42(26,39)40/h4-6,13,17,33H,7-12,14-16H2,1-3H3/b31-17+
InChIKeyWTSWKBUGCJBMAQ-KBVAKVRCSA-N
MW606.68 g/mol
LogP3.23
Rot. Bonds7

About N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide

N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide (PubChem CID 121426386) has the molecular formula C27H33F3N8O3S and a molecular weight of 606.68 g/mol. Its IUPAC name is N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide.

Molecular Properties

Compound NameN'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide
PubChem CID121426386
Molecular FormulaC27H33F3N8O3S
Molecular Weight606.68 g/mol
Exact Mass606.23
IUPAC NameN'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide
SMILESCc1nc2c(/N=C/N(C)C)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CC2(CCS2(=O)=O)C1
InChIInChI=1S/C27H33F3N8O3S/c1-18-24(38-25(32-18)22(31-17-35(2)3)13-23(34-38)37-8-10-41-11-9-37)33-21-6-4-5-20(27(28,29)30)19(21)14-36-15-26(16-36)7-12-42(26,39)40/h4-6,13,17,33H,7-12,14-16H2,1-3H3/b31-17+
InChIKeyWTSWKBUGCJBMAQ-KBVAKVRCSA-N
XLogP3.23
TPSA107.67 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500606.68
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide?
The IUPAC name of N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide (CID 121426386) is N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide.
What is the SMILES notation for N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide?
The canonical SMILES for N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide is Cc1nc2c(/N=C/N(C)C)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CC2(CCS2(=O)=O)C1.
What is the InChIKey of N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide?
The InChIKey is WTSWKBUGCJBMAQ-KBVAKVRCSA-N. The full InChI is InChI=1S/C27H33F3N8O3S/c1-18-24(38-25(32-18)22(31-17-35(2)3)13-23(34-38)37-8-10-41-11-9-37)33-21-6-4-5-20(27(28,29)30)19(21)14-36-15-26(16-36)7-12-42(26,39)40/h4-6,13,17,33H,7-12,14-16H2,1-3H3/b31-17+.
What are the key properties of N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide?
N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide has a molecular weight of 606.68 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[3-[2-[(1,1-dioxo-1λ6-thia-6-azaspiro[3.3]heptan-6-yl)methyl]-3-(trifluoromethyl)anilino]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-8-yl]-N,N-dimethylmethanimidamide is sourced from PubChem (CID 121426386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).