(4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

C133H103F3N30O9 — CID 158370931

About (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

(4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (PubChem CID 158370931) has the molecular formula C133H103F3N30O9 and a molecular weight of 2322.48 g/mol. Its IUPAC name is (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

Molecular Properties

• Compound Name: (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• PubChem CID: 158370931
• Molecular Formula: C133H103F3N30O9
• Molecular Weight: 2322.48 g/mol
• Exact Mass: 2320.85
• IUPAC Name: (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• SMILES: CN1CCN(C(=O)c2ccc(-c3cn4c(C#Cc5ccccc5)cnc4cn3)cc2)CC1.Cc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)c2cc[nH]c2n1.N#Cc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)c2cc[nH]c2n1.O=C(c1ccc(-c2ccc3ncc(C#Cc4c(C(F)(F)F)cnc5[nH]ccc45)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2cn3c(C#Cc4ccnc5c4C=NC5)cnc3cn2)cc1)N1CCOCC1
• InChI: InChI=1S/C27H19F3N6O2.C27H19N7O2.C27H22N6O2.C26H20N6O2.C26H23N5O/c28-27(29,30)22-16-33-25-21(9-10-31-25)20(22)6-5-19-15-32-24-8-7-23(34-36(19)24)17-1-3-18(4-2-17)26(37)35-11-13-38-14-12-35;28-16-21-15-20(23-9-10-29-26(23)31-21)5-6-22-17-30-25-8-7-24(32-34(22)25)18-1-3-19(4-2-18)27(35)33-11-13-36-14-12-33;1-18-16-21(23-10-11-28-26(23)30-18)6-7-22-17-29-25-9-8-24(31-33(22)25)19-2-4-20(5-3-19)27(34)32-12-14-35-15-13-32;33-26(31-9-11-34-12-10-31)20-3-1-19(2-4-20)24-17-32-21(13-30-25(32)16-29-24)6-5-18-7-8-28-23-15-27-14-22(18)23;1-29-13-15-30(16-14-29)26(32)22-10-8-21(9-11-22)24-19-31-23(17-28-25(31)18-27-24)12-7-20-5-3-2-4-6-20/h1-4,7-10,15-16H,11-14H2,(H,31,33);1-4,7-10,15,17H,11-14H2,(H,29,31);2-5,8-11,16-17H,12-15H2,1H3,(H,28,30);1-4,7-8,13-14,16-17H,9-12,15H2;2-6,8-11,17-19H,13-16H2,1H3
• InChIKey: GUPHBIOQPJNGIK-UHFFFAOYSA-N
• XLogP: 16.41
• TPSA: 427.74 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 31
• Rotatable Bonds: 10
• Heavy Atoms: 175
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2322.48
LogP ≤ 5	16.41
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	31

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The IUPAC name of (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (CID 158370931) is (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

What is the SMILES notation for (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The canonical SMILES for (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is CN1CCN(C(=O)c2ccc(-c3cn4c(C#Cc5ccccc5)cnc4cn3)cc2)CC1.Cc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)c2cc[nH]c2n1.N#Cc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)c2cc[nH]c2n1.O=C(c1ccc(-c2ccc3ncc(C#Cc4c(C(F)(F)F)cnc5[nH]ccc45)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2cn3c(C#Cc4ccnc5c4C=NC5)cnc3cn2)cc1)N1CCOCC1.

What is the InChIKey of (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The InChIKey is GUPHBIOQPJNGIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19F3N6O2.C27H19N7O2.C27H22N6O2.C26H20N6O2.C26H23N5O/c28-27(29,30)22-16-33-25-21(9-10-31-25)20(22)6-5-19-15-32-24-8-7-23(34-36(19)24)17-1-3-18(4-2-17)26(37)35-11-13-38-14-12-35;28-16-21-15-20(23-9-10-29-26(23)31-21)5-6-22-17-30-25-8-7-24(32-34(22)25)18-1-3-19(4-2-18)27(35)33-11-13-36-14-12-33;1-18-16-21(23-10-11-28-26(23)30-18)6-7-22-17-29-25-9-8-24(31-33(22)25)19-2-4-20(5-3-19)27(34)32-12-14-35-15-13-32;33-26(31-9-11-34-12-10-31)20-3-1-19(2-4-20)24-17-32-21(13-30-25(32)16-29-24)6-5-18-7-8-28-23-15-27-14-22(18)23;1-29-13-15-30(16-14-29)26(32)22-10-8-21(9-11-22)24-19-31-23(17-28-25(31)18-27-24)12-7-20-5-3-2-4-6-20/h1-4,7-10,15-16H,11-14H2,(H,31,33);1-4,7-10,15,17H,11-14H2,(H,29,31);2-5,8-11,16-17H,12-15H2,1H3,(H,28,30);1-4,7-8,13-14,16-17H,9-12,15H2;2-6,8-11,17-19H,13-16H2,1H3.

What are the key properties of (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

(4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone has a molecular weight of 2322.48 g/mol, XLogP of 16.41, 10 rotatable bonds, 3 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for (4-methylpiperazin-1-yl)-[4-[3-(2-phenylethynyl)imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;[4-[3-[2-(6-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;4-[2-[6-[4-(morpholine-4-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-1H-pyrrolo[2,3-b]pyridine-6-carbonitrile;morpholin-4-yl-[4-[3-[2-(7H-pyrrolo[3,4-b]pyridin-4-yl)ethynyl]imidazo[1,2-a]pyrazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-4-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is sourced from PubChem (CID 158370931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).