N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine

C49H61F6N15O2 — CID 159148683

IUPACN,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
SMILESCc1nc2c(/N=C/N(C)C)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CCCC1.Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CCCC1
InChIInChI=1S/C26H33F3N8O.C23H28F3N7O/c1-18-24(32-21-8-6-7-20(26(27,28)29)19(21)16-35-9-4-5-10-35)37-25(31-18)22(30-17-34(2)3)15-23(33-37)36-11-13-38-14-12-36;1-15-21(33-22(28-15)18(27)13-20(30-33)32-9-11-34-12-10-32)29-19-6-4-5-17(23(24,25)26)16(19)14-31-7-2-3-8-31/h6-8,15,17,32H,4-5,9-14,16H2,1-3H3;4-6,13,29H,2-3,7-12,14,27H2,1H3/b30-17+;
InChIKeyKIZRIAXNYAQHIJ-KZALGFBESA-N
MW1006.12 g/mol
LogP8.27
Rot. Bonds12

About N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine

N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine (PubChem CID 159148683) has the molecular formula C49H61F6N15O2 and a molecular weight of 1006.12 g/mol. Its IUPAC name is N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine.

Molecular Properties

Compound NameN,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
PubChem CID159148683
Molecular FormulaC49H61F6N15O2
Molecular Weight1006.12 g/mol
Exact Mass1005.50
IUPAC NameN,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
SMILESCc1nc2c(/N=C/N(C)C)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CCCC1.Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CCCC1
InChIInChI=1S/C26H33F3N8O.C23H28F3N7O/c1-18-24(32-21-8-6-7-20(26(27,28)29)19(21)16-35-9-4-5-10-35)37-25(31-18)22(30-17-34(2)3)15-23(33-37)36-11-13-38-14-12-36;1-15-21(33-22(28-15)18(27)13-20(30-33)32-9-11-34-12-10-32)29-19-6-4-5-17(23(24,25)26)16(19)14-31-7-2-3-8-31/h6-8,15,17,32H,4-5,9-14,16H2,1-3H3;4-6,13,29H,2-3,7-12,14,27H2,1H3/b30-17+;
InChIKeyKIZRIAXNYAQHIJ-KZALGFBESA-N
XLogP8.27
TPSA157.48 Ų
H-Bond Donors3
H-Bond Acceptors16
Rotatable Bonds12
Heavy Atoms72
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001006.12
LogP ≤ 58.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

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

Analyze N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine with MolForge

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Related Compounds

2-methyl-3-N-[2-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 121426227
1-[[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methyl]azetidin-3-ol
CID 121426239
8-(1H-imidazol-5-yl)-2-methyl-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
CID 137167632
2-methyl-6-morpholin-4-yl-3-N-[2-piperidin-4-yl-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
CID 121426178
2-[[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]methylamino]propan-1-ol
CID 121426223
2-[4-[2-[(8-Amino-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-yl)amino]-6-(trifluoromethyl)phenyl]piperidin-1-yl]ethanol
CID 121426272
2-(aminomethyl)-3-N-[2-methyl-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 132271633
8-(1H-imidazol-5-yl)-2-methyl-N-[2-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-6-morpholin-4-ylimidazo[1,2-b]pyridazin-3-amine
CID 136215718
N-[3-(7-{1-[1-(morpholin-4-ylcarbonyl)piperidin-4-yl]-1H-pyrazol-4-yl}imidazo[1,2-b]pyridazin-3-yl)phenyl]-N'-(2,2,2-trifluoroethyl)urea
CID 57387891
4-[2-[1-[5-(Trifluoromethyl)quinazolin-4-yl]piperidin-2-yl]-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazolin-9-yl]morpholine
CID 121396216
2-methyl-6-morpholin-4-yl-3-N-[2-(morpholin-4-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine
CID 121426137
3-N-[3-fluoro-2-(morpholin-4-ylmethyl)phenyl]-2-methyl-6-morpholin-4-ylimidazo[1,2-b]pyridazine-3,8-diamine
CID 121426179

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine?
The IUPAC name of N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine (CID 159148683) is N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine.
What is the SMILES notation for N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine?
The canonical SMILES for N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine is Cc1nc2c(/N=C/N(C)C)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CCCC1.Cc1nc2c(N)cc(N3CCOCC3)nn2c1Nc1cccc(C(F)(F)F)c1CN1CCCC1.
What is the InChIKey of N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine?
The InChIKey is KIZRIAXNYAQHIJ-KZALGFBESA-N. The full InChI is InChI=1S/C26H33F3N8O.C23H28F3N7O/c1-18-24(32-21-8-6-7-20(26(27,28)29)19(21)16-35-9-4-5-10-35)37-25(31-18)22(30-17-34(2)3)15-23(33-37)36-11-13-38-14-12-36;1-15-21(33-22(28-15)18(27)13-20(30-33)32-9-11-34-12-10-32)29-19-6-4-5-17(23(24,25)26)16(19)14-31-7-2-3-8-31/h6-8,15,17,32H,4-5,9-14,16H2,1-3H3;4-6,13,29H,2-3,7-12,14,27H2,1H3/b30-17+;.
What are the key properties of N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine?
N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine has a molecular weight of 1006.12 g/mol, XLogP of 8.27, 12 rotatable bonds, 3 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-N'-[2-methyl-6-morpholin-4-yl-3-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)anilino]imidazo[1,2-b]pyridazin-8-yl]methanimidamide;2-methyl-6-morpholin-4-yl-3-N-[2-(pyrrolidin-1-ylmethyl)-3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazine-3,8-diamine is sourced from PubChem (CID 159148683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).