2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

C42H47F6N11O4 — CID 157498053

IUPAC2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)CC(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCCN4CCOCC4)nn23)c1
InChIInChI=1S/C23H27F3N6O2.C19H20F3N5O2/c1-30(2)15-22(33)31-10-8-16(9-11-31)13-27-20-6-7-21-28-14-19(32(21)29-20)17-4-3-5-18(12-17)34-23(24,25)26;20-19(21,22)29-15-3-1-2-14(12-15)16-13-24-18-5-4-17(25-27(16)18)23-6-7-26-8-10-28-11-9-26/h3-7,12,14,16H,8-11,13,15H2,1-2H3,(H,27,29);1-5,12-13H,6-11H2,(H,23,25)
InChIKeyBYBJZSMEEKPBLE-UHFFFAOYSA-N
MW883.90 g/mol
LogP6.55
Rot. Bonds13

About 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine

2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 157498053) has the molecular formula C42H47F6N11O4 and a molecular weight of 883.90 g/mol. Its IUPAC name is 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound Name2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID157498053
Molecular FormulaC42H47F6N11O4
Molecular Weight883.90 g/mol
Exact Mass883.37
IUPAC Name2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESCN(C)CC(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCCN4CCOCC4)nn23)c1
InChIInChI=1S/C23H27F3N6O2.C19H20F3N5O2/c1-30(2)15-22(33)31-10-8-16(9-11-31)13-27-20-6-7-21-28-14-19(32(21)29-20)17-4-3-5-18(12-17)34-23(24,25)26;20-19(21,22)29-15-3-1-2-14(12-15)16-13-24-18-5-4-17(25-27(16)18)23-6-7-26-8-10-28-11-9-26/h3-7,12,14,16H,8-11,13,15H2,1-2H3,(H,27,29);1-5,12-13H,6-11H2,(H,23,25)
InChIKeyBYBJZSMEEKPBLE-UHFFFAOYSA-N
XLogP6.55
TPSA138.92 Ų
H-Bond Donors2
H-Bond Acceptors14
Rotatable Bonds13
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500883.90
LogP ≤ 56.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1014

Analyze 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-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

N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 24795070
N-(oxan-4-yl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 6419809
N-((1-ethylpiperidin-4-yl)methyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 25025645
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 44530413
N-[(1-propan-2-ylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 57399976
SGI-1776 sulfate
CID 57402077
N-(piperidin-4-ylmethyl)-3-(3-(trifluoromethoxy)phenyl)imidazo[1,2-b]pyridazin-6-amine
CID 57403491
US11155557, Example 57
CID 135186609
US11155557, Example 3
CID 135191775
US10544143, Example 577
CID 138686612
US10544143, Example 583
CID 138686727
US11155557, Example 44
CID 146236171

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 157498053) is 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is CN(C)CC(=O)N1CCC(CNc2ccc3ncc(-c4cccc(OC(F)(F)F)c4)n3n2)CC1.FC(F)(F)Oc1cccc(-c2cnc3ccc(NCCN4CCOCC4)nn23)c1.
What is the InChIKey of 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is BYBJZSMEEKPBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27F3N6O2.C19H20F3N5O2/c1-30(2)15-22(33)31-10-8-16(9-11-31)13-27-20-6-7-21-28-14-19(32(21)29-20)17-4-3-5-18(12-17)34-23(24,25)26;20-19(21,22)29-15-3-1-2-14(12-15)16-13-24-18-5-4-17(25-27(16)18)23-6-7-26-8-10-28-11-9-26/h3-7,12,14,16H,8-11,13,15H2,1-2H3,(H,27,29);1-5,12-13H,6-11H2,(H,23,25).
What are the key properties of 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine?
2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 883.90 g/mol, XLogP of 6.55, 13 rotatable bonds, 2 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 157498053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).