4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide

C51H48F3N13O7 — CID 159348992

IUPAC4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)N5CCN(C)CC5)cn4n3)c2)c1.O=C(Nc1cccc(Oc2ccc3nc(NC(=O)N4CCOCC4)cn3n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H27N7O3.C25H21F3N6O4/c1-18-5-3-6-19(15-18)25(34)27-20-7-4-8-21(16-20)36-24-10-9-23-28-22(17-33(23)30-24)29-26(35)32-13-11-31(2)12-14-32;26-25(27,28)17-4-1-3-16(13-17)23(35)29-18-5-2-6-19(14-18)38-22-8-7-21-30-20(15-34(21)32-22)31-24(36)33-9-11-37-12-10-33/h3-10,15-17H,11-14H2,1-2H3,(H,27,34)(H,29,35);1-8,13-15H,9-12H2,(H,29,35)(H,31,36)
InChIKeyLHBYSZXMCLHQHY-UHFFFAOYSA-N
MW1012.02 g/mol
LogP8.52
Rot. Bonds10

About 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide

4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide (PubChem CID 159348992) has the molecular formula C51H48F3N13O7 and a molecular weight of 1012.02 g/mol. Its IUPAC name is 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide.

Molecular Properties

Compound Name4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
PubChem CID159348992
Molecular FormulaC51H48F3N13O7
Molecular Weight1012.02 g/mol
Exact Mass1011.38
IUPAC Name4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide
SMILESCc1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)N5CCN(C)CC5)cn4n3)c2)c1.O=C(Nc1cccc(Oc2ccc3nc(NC(=O)N4CCOCC4)cn3n2)c1)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C26H27N7O3.C25H21F3N6O4/c1-18-5-3-6-19(15-18)25(34)27-20-7-4-8-21(16-20)36-24-10-9-23-28-22(17-33(23)30-24)29-26(35)32-13-11-31(2)12-14-32;26-25(27,28)17-4-1-3-16(13-17)23(35)29-18-5-2-6-19(14-18)38-22-8-7-21-30-20(15-34(21)32-22)31-24(36)33-9-11-37-12-10-33/h3-10,15-17H,11-14H2,1-2H3,(H,27,34)(H,29,35);1-8,13-15H,9-12H2,(H,29,35)(H,31,36)
InChIKeyLHBYSZXMCLHQHY-UHFFFAOYSA-N
XLogP8.52
TPSA214.19 Ų
H-Bond Donors4
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms74
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001012.02
LogP ≤ 58.52
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1014

Analyze 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide 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 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide?
The IUPAC name of 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide (CID 159348992) is 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide.
What is the SMILES notation for 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide?
The canonical SMILES for 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide is Cc1cccc(C(=O)Nc2cccc(Oc3ccc4nc(NC(=O)N5CCN(C)CC5)cn4n3)c2)c1.O=C(Nc1cccc(Oc2ccc3nc(NC(=O)N4CCOCC4)cn3n2)c1)c1cccc(C(F)(F)F)c1.
What is the InChIKey of 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide?
The InChIKey is LHBYSZXMCLHQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N7O3.C25H21F3N6O4/c1-18-5-3-6-19(15-18)25(34)27-20-7-4-8-21(16-20)36-24-10-9-23-28-22(17-33(23)30-24)29-26(35)32-13-11-31(2)12-14-32;26-25(27,28)17-4-1-3-16(13-17)23(35)29-18-5-2-6-19(14-18)38-22-8-7-21-30-20(15-34(21)32-22)31-24(36)33-9-11-37-12-10-33/h3-10,15-17H,11-14H2,1-2H3,(H,27,34)(H,29,35);1-8,13-15H,9-12H2,(H,29,35)(H,31,36).
What are the key properties of 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide?
4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide has a molecular weight of 1012.02 g/mol, XLogP of 8.52, 10 rotatable bonds, 4 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[6-[3-[(3-methylbenzoyl)amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]piperazine-1-carboxamide;N-[6-[3-[[3-(trifluoromethyl)benzoyl]amino]phenoxy]imidazo[1,2-b]pyridazin-2-yl]morpholine-4-carboxamide is sourced from PubChem (CID 159348992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).