4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

C130H108N32O10 — CID 158828113

About 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (PubChem CID 158828113) has the molecular formula C130H108N32O10 and a molecular weight of 2278.51 g/mol. Its IUPAC name is 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

Molecular Properties

• Compound Name: 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• PubChem CID: 158828113
• Molecular Formula: C130H108N32O10
• Molecular Weight: 2278.51 g/mol
• Exact Mass: 2276.89
• IUPAC Name: 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• SMILES: CN1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccnc(N)c5)n4n3)cc2)CC1.CN1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccnc(N)c5)n4n3)cc2)CC1=O.Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)c2cc[nH]c2n1.Nc1ccc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)cn1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Oc5ccccc5)c4)n3n2)cc1)N1CCOCC1
• InChI: InChI=1S/C30H23N5O3.C26H21N7O2.C25H21N7O2.C25H23N7O.C24H20N6O2/c36-30(34-16-18-37-19-17-34)24-9-7-23(8-10-24)27-12-13-28-32-21-25(35(28)33-27)11-6-22-14-15-31-29(20-22)38-26-4-2-1-3-5-26;27-23-15-19(21-9-10-28-25(21)30-23)5-6-20-16-29-24-8-7-22(31-33(20)24)17-1-3-18(4-2-17)26(34)32-11-13-35-14-12-32;1-30-12-13-31(16-24(30)33)25(34)19-5-3-18(4-6-19)21-8-9-23-28-15-20(32(23)29-21)7-2-17-10-11-27-22(26)14-17;1-30-12-14-31(15-13-30)25(33)20-5-3-19(4-6-20)22-8-9-24-28-17-21(32(24)29-22)7-2-18-10-11-27-23(26)16-18;25-22-9-2-17(15-26-22)1-7-20-16-27-23-10-8-21(28-30(20)23)18-3-5-19(6-4-18)24(31)29-11-13-32-14-12-29/h1-5,7-10,12-15,20-21H,16-19H2;1-4,7-10,15-16H,11-14H2,(H3,27,28,30);3-6,8-11,14-15H,12-13,16H2,1H3,(H2,26,27);3-6,8-11,16-17H,12-15H2,1H3,(H2,26,27);2-6,8-10,15-16H,11-14H2,(H2,25,26)
• InChIKey: IWRWPXICYOAESA-UHFFFAOYSA-N
• XLogP: 13.28
• TPSA: 497.29 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 35
• Rotatable Bonds: 12
• Heavy Atoms: 172
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2278.51
LogP ≤ 5	13.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The IUPAC name of 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (CID 158828113) is 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

What is the SMILES notation for 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The canonical SMILES for 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is CN1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccnc(N)c5)n4n3)cc2)CC1.CN1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccnc(N)c5)n4n3)cc2)CC1=O.Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)c2cc[nH]c2n1.Nc1ccc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)cn1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Oc5ccccc5)c4)n3n2)cc1)N1CCOCC1.

What is the InChIKey of 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The InChIKey is IWRWPXICYOAESA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23N5O3.C26H21N7O2.C25H21N7O2.C25H23N7O.C24H20N6O2/c36-30(34-16-18-37-19-17-34)24-9-7-23(8-10-24)27-12-13-28-32-21-25(35(28)33-27)11-6-22-14-15-31-29(20-22)38-26-4-2-1-3-5-26;27-23-15-19(21-9-10-28-25(21)30-23)5-6-20-16-29-24-8-7-22(31-33(20)24)17-1-3-18(4-2-17)26(34)32-11-13-35-14-12-32;1-30-12-13-31(16-24(30)33)25(34)19-5-3-18(4-6-19)21-8-9-23-28-15-20(32(23)29-21)7-2-17-10-11-27-22(26)14-17;1-30-12-14-31(15-13-30)25(33)20-5-3-19(4-6-20)22-8-9-24-28-17-21(32(24)29-22)7-2-18-10-11-27-23(26)16-18;25-22-9-2-17(15-26-22)1-7-20-16-27-23-10-8-21(28-30(20)23)18-3-5-19(6-4-18)24(31)29-11-13-32-14-12-29/h1-5,7-10,12-15,20-21H,16-19H2;1-4,7-10,15-16H,11-14H2,(H3,27,28,30);3-6,8-11,14-15H,12-13,16H2,1H3,(H2,26,27);3-6,8-11,16-17H,12-15H2,1H3,(H2,26,27);2-6,8-10,15-16H,11-14H2,(H2,25,26).

What are the key properties of 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone has a molecular weight of 2278.51 g/mol, XLogP of 13.28, 12 rotatable bonds, 5 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]-1-methylpiperazin-2-one;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;[4-[3-[2-(6-amino-3-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(6-amino-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-(2-phenoxy-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is sourced from PubChem (CID 158828113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).