[4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

C139H112F3N31O9 — CID 158759955

About [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

[4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (PubChem CID 158759955) has the molecular formula C139H112F3N31O9 and a molecular weight of 2417.63 g/mol. Its IUPAC name is [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• PubChem CID: 158759955
• Molecular Formula: C139H112F3N31O9
• Molecular Weight: 2417.63 g/mol
• Exact Mass: 2415.92
• IUPAC Name: [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• SMILES: Cc1cccc(Nc2cc(C#Cc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)cc5)nn34)ccn2)c1.Cc1cnccc1C#Cc1cnc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nn12.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Nc5ccccc5C(F)(F)F)c4)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Nc5ncccn5)c4)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccncc4)n3n2)cc1)N1CCNCC1
• InChI: InChI=1S/C31H23F3N6O2.C31H26N6O2.C28H22N8O2.C25H21N5O2.C24H20N6O/c32-31(33,34)25-3-1-2-4-27(25)37-28-19-21(13-14-35-28)5-10-24-20-36-29-12-11-26(38-40(24)29)22-6-8-23(9-7-22)30(41)39-15-17-42-18-16-39;1-22-3-2-4-26(19-22)34-29-20-23(13-14-32-29)5-10-27-21-33-30-12-11-28(35-37(27)30)24-6-8-25(9-7-24)31(38)36-15-17-39-18-16-36;37-27(35-14-16-38-17-15-35)22-5-3-21(4-6-22)24-8-9-26-32-19-23(36(26)34-24)7-2-20-10-13-29-25(18-20)33-28-30-11-1-12-31-28;1-18-16-26-11-10-19(18)6-7-22-17-27-24-9-8-23(28-30(22)24)20-2-4-21(5-3-20)25(31)29-12-14-32-15-13-29;31-24(29-15-13-26-14-16-29)20-4-2-19(3-5-20)22-7-8-23-27-17-21(30(23)28-22)6-1-18-9-11-25-12-10-18/h1-4,6-9,11-14,19-20H,15-18H2,(H,35,37);2-4,6-9,11-14,19-21H,15-18H2,1H3,(H,32,34);1,3-6,8-13,18-19H,14-17H2,(H,29,30,31,33);2-5,8-11,16-17H,12-15H2,1H3;2-5,7-12,17,26H,13-16H2
• InChIKey: IONRIDQNDDLQFG-UHFFFAOYSA-N
• XLogP: 18.55
• TPSA: 427.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 35
• Rotatable Bonds: 16
• Heavy Atoms: 182
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2417.63
LogP ≤ 5	18.55
H-Bond Donors ≤ 5	4
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-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The IUPAC name of [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (CID 158759955) is [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

What is the SMILES notation for [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The canonical SMILES for [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is Cc1cccc(Nc2cc(C#Cc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)cc5)nn34)ccn2)c1.Cc1cnccc1C#Cc1cnc2ccc(-c3ccc(C(=O)N4CCOCC4)cc3)nn12.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Nc5ccccc5C(F)(F)F)c4)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccnc(Nc5ncccn5)c4)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4ccncc4)n3n2)cc1)N1CCNCC1.

What is the InChIKey of [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The InChIKey is IONRIDQNDDLQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H23F3N6O2.C31H26N6O2.C28H22N8O2.C25H21N5O2.C24H20N6O/c32-31(33,34)25-3-1-2-4-27(25)37-28-19-21(13-14-35-28)5-10-24-20-36-29-12-11-26(38-40(24)29)22-6-8-23(9-7-22)30(41)39-15-17-42-18-16-39;1-22-3-2-4-26(19-22)34-29-20-23(13-14-32-29)5-10-27-21-33-30-12-11-28(35-37(27)30)24-6-8-25(9-7-24)31(38)36-15-17-39-18-16-36;37-27(35-14-16-38-17-15-35)22-5-3-21(4-6-22)24-8-9-26-32-19-23(36(26)34-24)7-2-20-10-13-29-25(18-20)33-28-30-11-1-12-31-28;1-18-16-26-11-10-19(18)6-7-22-17-27-24-9-8-23(28-30(22)24)20-2-4-21(5-3-20)25(31)29-12-14-32-15-13-29;31-24(29-15-13-26-14-16-29)20-4-2-19(3-5-20)22-7-8-23-27-17-21(30(23)28-22)6-1-18-9-11-25-12-10-18/h1-4,6-9,11-14,19-20H,15-18H2,(H,35,37);2-4,6-9,11-14,19-21H,15-18H2,1H3,(H,32,34);1,3-6,8-13,18-19H,14-17H2,(H,29,30,31,33);2-5,8-11,16-17H,12-15H2,1H3;2-5,7-12,17,26H,13-16H2.

What are the key properties of [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

[4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone has a molecular weight of 2417.63 g/mol, XLogP of 18.55, 16 rotatable bonds, 4 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[2-[2-(3-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(3-methyl-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(pyrimidin-2-ylamino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[2-[2-(trifluoromethyl)anilino]-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;piperazin-1-yl-[4-[3-(2-pyridin-4-ylethynyl)imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is sourced from PubChem (CID 158759955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).