[4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide

C141H124N30O10 — CID 159065816

About [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide

[4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide (PubChem CID 159065816) has the molecular formula C141H124N30O10 and a molecular weight of 2398.74 g/mol. Its IUPAC name is [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide
• PubChem CID: 159065816
• Molecular Formula: C141H124N30O10
• Molecular Weight: 2398.74 g/mol
• Exact Mass: 2397.01
• IUPAC Name: [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide
• SMILES: CC(=O)Nc1ccc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)nn23)cc1.CC(=O)Nc1cccc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)nn23)c1.COc1ccc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)nn23)cc1.Cc1ccc(C#N)cc1C#Cc1cnc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)nn12.O=C(Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)ccn1)c1ccccn1
• InChI: InChI=1S/C30H23N7O3.2C28H26N6O2.C28H24N6O.C27H25N5O2/c38-29(26-3-1-2-13-31-26)34-27-19-21(12-14-32-27)4-9-24-20-33-28-11-10-25(35-37(24)28)22-5-7-23(8-6-22)30(39)36-15-17-40-18-16-36;1-20(35)30-24-10-3-21(4-11-24)5-12-25-19-29-27-14-13-26(31-34(25)27)22-6-8-23(9-7-22)28(36)33-17-15-32(2)16-18-33;1-20(35)30-24-5-3-4-21(18-24)6-11-25-19-29-27-13-12-26(31-34(25)27)22-7-9-23(10-8-22)28(36)33-16-14-32(2)15-17-33;1-20-3-4-21(18-29)17-24(20)9-10-25-19-30-27-12-11-26(31-34(25)27)22-5-7-23(8-6-22)28(35)33-15-13-32(2)14-16-33;1-30-15-17-31(18-16-30)27(33)22-8-6-21(7-9-22)25-13-14-26-28-19-23(32(26)29-25)10-3-20-4-11-24(34-2)12-5-20/h1-3,5-8,10-14,19-20H,15-18H2,(H,32,34,38);3-4,6-11,13-14,19H,15-18H2,1-2H3,(H,30,35);3-5,7-10,12-13,18-19H,14-17H2,1-2H3,(H,30,35);3-8,11-12,17,19H,13-16H2,1-2H3;4-9,11-14,19H,15-18H2,1-2H3
• InChIKey: JZARDTBQRZXCTL-UHFFFAOYSA-N
• XLogP: 16.15
• TPSA: 420.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 32
• Rotatable Bonds: 15
• Heavy Atoms: 181
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2398.74
LogP ≤ 5	16.15
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	32

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide?

The IUPAC name of [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide (CID 159065816) is [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide.

What is the SMILES notation for [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide?

The canonical SMILES for [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide is CC(=O)Nc1ccc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)nn23)cc1.CC(=O)Nc1cccc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)nn23)c1.COc1ccc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCN(C)CC5)cc4)nn23)cc1.Cc1ccc(C#N)cc1C#Cc1cnc2ccc(-c3ccc(C(=O)N4CCN(C)CC4)cc3)nn12.O=C(Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)ccn1)c1ccccn1.

What is the InChIKey of [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide?

The InChIKey is JZARDTBQRZXCTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N7O3.2C28H26N6O2.C28H24N6O.C27H25N5O2/c38-29(26-3-1-2-13-31-26)34-27-19-21(12-14-32-27)4-9-24-20-33-28-11-10-25(35-37(24)28)22-5-7-23(8-6-22)30(39)36-15-17-40-18-16-36;1-20(35)30-24-10-3-21(4-11-24)5-12-25-19-29-27-14-13-26(31-34(25)27)22-6-8-23(9-7-22)28(36)33-17-15-32(2)16-18-33;1-20(35)30-24-5-3-4-21(18-24)6-11-25-19-29-27-13-12-26(31-34(25)27)22-7-9-23(10-8-22)28(36)33-16-14-32(2)15-17-33;1-20-3-4-21(18-29)17-24(20)9-10-25-19-30-27-12-11-26(31-34(25)27)22-5-7-23(8-6-22)28(35)33-15-13-32(2)14-16-33;1-30-15-17-31(18-16-30)27(33)22-8-6-21(7-9-22)25-13-14-26-28-19-23(32(26)29-25)10-3-20-4-11-24(34-2)12-5-20/h1-3,5-8,10-14,19-20H,15-18H2,(H,32,34,38);3-4,6-11,13-14,19H,15-18H2,1-2H3,(H,30,35);3-5,7-10,12-13,18-19H,14-17H2,1-2H3,(H,30,35);3-8,11-12,17,19H,13-16H2,1-2H3;4-9,11-14,19H,15-18H2,1-2H3.

What are the key properties of [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide?

[4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide has a molecular weight of 2398.74 g/mol, XLogP of 16.15, 15 rotatable bonds, 3 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[2-(4-methoxyphenyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;4-methyl-3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]benzonitrile;N-[3-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(4-methylpiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]phenyl]acetamide;N-[4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 159065816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).