7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one

C89H87N19O6 — CID 134505038

About 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one

7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one (PubChem CID 134505038) has the molecular formula C89H87N19O6 and a molecular weight of 1518.80 g/mol. Its IUPAC name is 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one
• PubChem CID: 134505038
• Molecular Formula: C89H87N19O6
• Molecular Weight: 1518.80 g/mol
• Exact Mass: 1517.71
• IUPAC Name: 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one
• SMILES: CN1CCN(C2CCN(C(=O)c3ccc(-c4ccc5ncc(-c6cc7c(c(C8CC9(CCCCN9)CCN8C(=O)c8ccc(-c9ccc%10ncc(-c%11cc%12c(c(CN(C)C%13CCN(C(=O)c%14ccc(-c%15ccc%16ncc(-c%17ccc%18c(c%17)CNC%18=O)n%16n%15)cc%14)CC%13)c%11)NC(=O)C%12)n%10n9)cc8)c6)NC(=O)C7)n5n4)cc3)CC2)CC1
• InChI: InChI=1S/C89H87N19O6/c1-100-37-39-102(40-38-100)68-27-34-104(35-28-68)87(113)58-13-7-55(8-14-58)72-21-24-80-92-52-77(108(80)99-72)62-43-64-47-82(110)96-84(64)70(45-62)74-48-89(29-3-4-31-94-89)30-36-105(74)88(114)59-15-9-56(10-16-59)73-20-23-79-91-51-76(107(79)98-73)61-42-63-46-81(109)95-83(63)66(44-61)53-101(2)67-25-32-103(33-26-67)86(112)57-11-5-54(6-12-57)71-19-22-78-90-50-75(106(78)97-71)60-17-18-69-65(41-60)49-93-85(69)111/h5-24,41-45,50-52,67-68,74,94H,3-4,25-40,46-49,53H2,1-2H3,(H,93,111)(H,95,109)(H,96,110)
• InChIKey: LRDMYWZUSIXEHG-UHFFFAOYSA-N
• XLogP: 11.13
• TPSA: 260.55 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 19
• Rotatable Bonds: 14
• Heavy Atoms: 114
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1518.80
LogP ≤ 5	11.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one?

The IUPAC name of 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one (CID 134505038) is 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one?

The canonical SMILES for 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one is CN1CCN(C2CCN(C(=O)c3ccc(-c4ccc5ncc(-c6cc7c(c(C8CC9(CCCCN9)CCN8C(=O)c8ccc(-c9ccc%10ncc(-c%11cc%12c(c(CN(C)C%13CCN(C(=O)c%14ccc(-c%15ccc%16ncc(-c%17ccc%18c(c%17)CNC%18=O)n%16n%15)cc%14)CC%13)c%11)NC(=O)C%12)n%10n9)cc8)c6)NC(=O)C7)n5n4)cc3)CC2)CC1.

What is the InChIKey of 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one?

The InChIKey is LRDMYWZUSIXEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C89H87N19O6/c1-100-37-39-102(40-38-100)68-27-34-104(35-28-68)87(113)58-13-7-55(8-14-58)72-21-24-80-92-52-77(108(80)99-72)62-43-64-47-82(110)96-84(64)70(45-62)74-48-89(29-3-4-31-94-89)30-36-105(74)88(114)59-15-9-56(10-16-59)73-20-23-79-91-51-76(107(79)98-73)61-42-63-46-81(109)95-83(63)66(44-61)53-101(2)67-25-32-103(33-26-67)86(112)57-11-5-54(6-12-57)71-19-22-78-90-50-75(106(78)97-71)60-17-18-69-65(41-60)49-93-85(69)111/h5-24,41-45,50-52,67-68,74,94H,3-4,25-40,46-49,53H2,1-2H3,(H,93,111)(H,95,109)(H,96,110).

What are the key properties of 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one?

7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 1518.80 g/mol, XLogP of 11.13, 14 rotatable bonds, 4 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[[methyl-[1-[4-[3-(1-oxo-2,3-dihydroisoindol-5-yl)imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperidin-4-yl]amino]methyl]-5-[6-[4-[10-[5-[6-[4-[4-(4-methylpiperazin-1-yl)piperidine-1-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-2-oxo-1,3-dihydroindol-7-yl]-1,9-diazaspiro[5.5]undecane-9-carbonyl]phenyl]imidazo[1,2-b]pyridazin-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 134505038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).