6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one

C98H96N22O10 — CID 158537241

About 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one

6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one (PubChem CID 158537241) has the molecular formula C98H96N22O10 and a molecular weight of 1741.99 g/mol. Its IUPAC name is 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one.

Molecular Properties

• Compound Name: 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one
• PubChem CID: 158537241
• Molecular Formula: C98H96N22O10
• Molecular Weight: 1741.99 g/mol
• Exact Mass: 1740.77
• IUPAC Name: 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one
• SMILES: CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c4nccn4n3)c1CO)C2=O.CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccn(C)n4)c4nccn4c3)c1CO)C2=O.O=C(c1ccc(Nc2cc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)nn3ccnc23)nc1)N1CCOCC1
• InChI: InChI=1S/C35H33N7O4.C34H34N8O4.C29H29N7O2/c43-21-28-27(2-1-3-31(28)41-12-10-24-18-23(22-4-5-22)6-8-26(24)35(41)45)29-19-30(33-36-11-13-42(33)39-29)38-32-9-7-25(20-37-32)34(44)40-14-16-46-17-15-40;1-39(2)24-7-8-25-22(18-24)10-12-41(34(25)45)30-5-3-4-26(27(30)21-43)28-19-29(32-35-11-13-42(32)38-28)37-31-9-6-23(20-36-31)33(44)40-14-16-46-17-15-40;1-33(2)21-7-8-23-19(15-21)9-13-36(29(23)38)26-6-4-5-22(24(26)18-37)20-16-25(28-30-11-14-35(28)17-20)31-27-10-12-34(3)32-27/h1-3,6-9,11,13,18-20,22,43H,4-5,10,12,14-17,21H2,(H,37,38);3-9,11,13,18-20,43H,10,12,14-17,21H2,1-2H3,(H,36,37);4-8,10-12,14-17,37H,9,13,18H2,1-3H3,(H,31,32)
• InChIKey: HOBZFKCOTMFDHW-UHFFFAOYSA-N
• XLogP: 12.59
• TPSA: 344.55 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 27
• Rotatable Bonds: 20
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1741.99
LogP ≤ 5	12.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

The IUPAC name of 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one (CID 158537241) is 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one.

What is the SMILES notation for 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

The canonical SMILES for 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one is CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccc(C(=O)N5CCOCC5)cn4)c4nccn4n3)c1CO)C2=O.CN(C)c1ccc2c(c1)CCN(c1cccc(-c3cc(Nc4ccn(C)n4)c4nccn4c3)c1CO)C2=O.O=C(c1ccc(Nc2cc(-c3cccc(N4CCc5cc(C6CC6)ccc5C4=O)c3CO)nn3ccnc23)nc1)N1CCOCC1.

What is the InChIKey of 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

The InChIKey is HOBZFKCOTMFDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33N7O4.C34H34N8O4.C29H29N7O2/c43-21-28-27(2-1-3-31(28)41-12-10-24-18-23(22-4-5-22)6-8-26(24)35(41)45)29-19-30(33-36-11-13-42(33)39-29)38-32-9-7-25(20-37-32)34(44)40-14-16-46-17-15-40;1-39(2)24-7-8-25-22(18-24)10-12-41(34(25)45)30-5-3-4-26(27(30)21-43)28-19-29(32-35-11-13-42(32)38-28)37-31-9-6-23(20-36-31)33(44)40-14-16-46-17-15-40;1-33(2)21-7-8-23-19(15-21)9-13-36(29(23)38)26-6-4-5-22(24(26)18-37)20-16-25(28-30-11-14-35(28)17-20)31-27-10-12-34(3)32-27/h1-3,6-9,11,13,18-20,22,43H,4-5,10,12,14-17,21H2,(H,37,38);3-9,11,13,18-20,43H,10,12,14-17,21H2,1-2H3,(H,36,37);4-8,10-12,14-17,37H,9,13,18H2,1-3H3,(H,31,32).

What are the key properties of 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one?

6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one has a molecular weight of 1741.99 g/mol, XLogP of 12.59, 20 rotatable bonds, 6 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[(1-methylpyrazol-3-yl)amino]imidazo[1,2-a]pyridin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one;6-(dimethylamino)-2-[2-(hydroxymethyl)-3-[8-[[5-(morpholine-4-carbonyl)-2-pyridinyl]amino]imidazo[1,2-b]pyridazin-6-yl]phenyl]-3,4-dihydroisoquinolin-1-one is sourced from PubChem (CID 158537241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).