[4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

C108H87N25O7S — CID 158497830

About [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

[4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (PubChem CID 158497830) has the molecular formula C108H87N25O7S and a molecular weight of 1879.12 g/mol. Its IUPAC name is [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• PubChem CID: 158497830
• Molecular Formula: C108H87N25O7S
• Molecular Weight: 1879.12 g/mol
• Exact Mass: 1877.69
• IUPAC Name: [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• SMILES: CN1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccc6c(c5)N=CC6)n4c3)cc2)CC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Nc5ccncn5)c4)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Nc5nccs5)c4)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccncc4)n3n2)cc1)N1CCOCC1
• InChI: InChI=1S/C29H25N5O.C28H22N8O2.C27H21N7O2S.C24H19N5O2/c1-32-14-16-33(17-15-32)29(35)24-7-5-22(6-8-24)25-9-11-28-31-19-26(34(28)20-25)10-3-21-2-4-23-12-13-30-27(23)18-21;37-28(35-13-15-38-16-14-35)22-4-2-21(3-5-22)24-7-8-27-31-18-23(36(27)34-24)6-1-20-9-12-30-26(17-20)33-25-10-11-29-19-32-25;35-26(33-12-14-36-15-13-33)21-4-2-20(3-5-21)23-7-8-25-30-18-22(34(25)32-23)6-1-19-9-10-28-24(17-19)31-27-29-11-16-37-27;30-24(28-13-15-31-16-14-28)20-4-2-19(3-5-20)22-7-8-23-26-17-21(29(23)27-22)6-1-18-9-11-25-12-10-18/h2,4-9,11,13,18-20H,12,14-17H2,1H3;2-5,7-12,17-19H,13-16H2,(H,29,30,32,33);2-5,7-11,16-18H,12-15H2,(H,28,29,31);2-5,7-12,17H,13-16H2
• InChIKey: HJMXXXDHZVWDAB-UHFFFAOYSA-N
• XLogP: 13.77
• TPSA: 333.80 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 29
• Rotatable Bonds: 12
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1879.12
LogP ≤ 5	13.77
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	29

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The IUPAC name of [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (CID 158497830) is [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

What is the SMILES notation for [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The canonical SMILES for [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is CN1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccc6c(c5)N=CC6)n4c3)cc2)CC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Nc5ccncn5)c4)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Nc5nccs5)c4)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccncc4)n3n2)cc1)N1CCOCC1.

What is the InChIKey of [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The InChIKey is HJMXXXDHZVWDAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N5O.C28H22N8O2.C27H21N7O2S.C24H19N5O2/c1-32-14-16-33(17-15-32)29(35)24-7-5-22(6-8-24)25-9-11-28-31-19-26(34(28)20-25)10-3-21-2-4-23-12-13-30-27(23)18-21;37-28(35-13-15-38-16-14-35)22-4-2-21(3-5-22)24-7-8-27-31-18-23(36(27)34-24)6-1-20-9-12-30-26(17-20)33-25-10-11-29-19-32-25;35-26(33-12-14-36-15-13-33)21-4-2-20(3-5-21)23-7-8-25-30-18-22(34(25)32-23)6-1-19-9-10-28-24(17-19)31-27-29-11-16-37-27;30-24(28-13-15-31-16-14-28)20-4-2-19(3-5-20)22-7-8-23-26-17-21(29(23)27-22)6-1-18-9-11-25-12-10-18/h2,4-9,11,13,18-20H,12,14-17H2,1H3;2-5,7-12,17-19H,13-16H2,(H,29,30,32,33);2-5,7-11,16-18H,12-15H2,(H,28,29,31);2-5,7-12,17H,13-16H2.

What are the key properties of [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

[4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone has a molecular weight of 1879.12 g/mol, XLogP of 13.77, 12 rotatable bonds, 2 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[2-(3H-indol-6-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-(4-methylpiperazin-1-yl)methanone;morpholin-4-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-4-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-(1,3-thiazol-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is sourced from PubChem (CID 158497830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).