N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

C78H63F9N18O6 — CID 130425808

IUPACN-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nc(C3CN(c4cc(-c5cc(NC(=O)c6cccc(C(F)(F)F)c6)cnc5C)nn5c(Cc6ccc(NC(=O)c7cccc(C(F)(F)F)c7)cc6-c6nc(N7CCOCC7)c7cccnc7n6)cnc45)CC(c4ncc[nH]4)O3)cn2n1
InChIInChI=1S/C78H63F9N18O6/c1-43-14-16-52(93-73(106)46-7-3-10-49(29-46)76(79,80)81)33-57(43)60-36-64(101-21-25-109-26-22-101)72-96-62(40-104(72)99-60)65-41-103(42-66(111-65)69-89-19-20-90-69)63-37-61(58-35-54(38-91-44(58)2)95-75(108)48-9-5-12-51(31-48)78(85,86)87)100-105-55(39-92-71(63)105)32-45-15-17-53(94-74(107)47-8-4-11-50(30-47)77(82,83)84)34-59(45)68-97-67-56(13-6-18-88-67)70(98-68)102-23-27-110-28-24-102/h3-20,29-31,33-40,65-66H,21-28,32,41-42H2,1-2H3,(H,89,90)(H,93,106)(H,94,107)(H,95,108)
InChIKeyPVHKDTUZQMTSSY-UHFFFAOYSA-N
MW1519.46 g/mol
LogP14.24
Rot. Bonds16

About N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide

N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (PubChem CID 130425808) has the molecular formula C78H63F9N18O6 and a molecular weight of 1519.46 g/mol. Its IUPAC name is N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
PubChem CID130425808
Molecular FormulaC78H63F9N18O6
Molecular Weight1519.46 g/mol
Exact Mass1518.50
IUPAC NameN-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
SMILESCc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nc(C3CN(c4cc(-c5cc(NC(=O)c6cccc(C(F)(F)F)c6)cnc5C)nn5c(Cc6ccc(NC(=O)c7cccc(C(F)(F)F)c7)cc6-c6nc(N7CCOCC7)c7cccnc7n6)cnc45)CC(c4ncc[nH]4)O3)cn2n1
InChIInChI=1S/C78H63F9N18O6/c1-43-14-16-52(93-73(106)46-7-3-10-49(29-46)76(79,80)81)33-57(43)60-36-64(101-21-25-109-26-22-101)72-96-62(40-104(72)99-60)65-41-103(42-66(111-65)69-89-19-20-90-69)63-37-61(58-35-54(38-91-44(58)2)95-75(108)48-9-5-12-51(31-48)78(85,86)87)100-105-55(39-92-71(63)105)32-45-15-17-53(94-74(107)47-8-4-11-50(30-47)77(82,83)84)34-59(45)68-97-67-56(13-6-18-88-67)70(98-68)102-23-27-110-28-24-102/h3-20,29-31,33-40,65-66H,21-28,32,41-42H2,1-2H3,(H,89,90)(H,93,106)(H,94,107)(H,95,108)
InChIKeyPVHKDTUZQMTSSY-UHFFFAOYSA-N
XLogP14.24
TPSA265.33 Ų
H-Bond Donors4
H-Bond Acceptors20
Rotatable Bonds16
Heavy Atoms111
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001519.46
LogP ≤ 514.24
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1020

Analyze N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide (CID 130425808) is N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1-c1cc(N2CCOCC2)c2nc(C3CN(c4cc(-c5cc(NC(=O)c6cccc(C(F)(F)F)c6)cnc5C)nn5c(Cc6ccc(NC(=O)c7cccc(C(F)(F)F)c7)cc6-c6nc(N7CCOCC7)c7cccnc7n6)cnc45)CC(c4ncc[nH]4)O3)cn2n1.
What is the InChIKey of N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
The InChIKey is PVHKDTUZQMTSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C78H63F9N18O6/c1-43-14-16-52(93-73(106)46-7-3-10-49(29-46)76(79,80)81)33-57(43)60-36-64(101-21-25-109-26-22-101)72-96-62(40-104(72)99-60)65-41-103(42-66(111-65)69-89-19-20-90-69)63-37-61(58-35-54(38-91-44(58)2)95-75(108)48-9-5-12-51(31-48)78(85,86)87)100-105-55(39-92-71(63)105)32-45-15-17-53(94-74(107)47-8-4-11-50(30-47)77(82,83)84)34-59(45)68-97-67-56(13-6-18-88-67)70(98-68)102-23-27-110-28-24-102/h3-20,29-31,33-40,65-66H,21-28,32,41-42H2,1-2H3,(H,89,90)(H,93,106)(H,94,107)(H,95,108).
What are the key properties of N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide?
N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide has a molecular weight of 1519.46 g/mol, XLogP of 14.24, 16 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]-3-pyridinyl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 130425808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).