[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

C113H95F3N24O8 — CID 159199580

About [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (PubChem CID 159199580) has the molecular formula C113H95F3N24O8 and a molecular weight of 1974.16 g/mol. Its IUPAC name is [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

Molecular Properties

• Compound Name: [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• PubChem CID: 159199580
• Molecular Formula: C113H95F3N24O8
• Molecular Weight: 1974.16 g/mol
• Exact Mass: 1972.77
• IUPAC Name: [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• SMILES: CC(C)c1ccccc1Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)ccn1.Cc1ccc(Nc2cc(C#Cc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)cc5)nn34)ccn2)cc1.Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(C(F)(F)F)c4)nn23)ccn1.Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)ccn1
• InChI: InChI=1S/C33H30N6O2.C31H26N6O2.C25H19F3N6O2.C24H20N6O2/c1-23(2)28-5-3-4-6-30(28)36-31-21-24(15-16-34-31)7-12-27-22-35-32-14-13-29(37-39(27)32)25-8-10-26(11-9-25)33(40)38-17-19-41-20-18-38;1-22-2-9-26(10-3-22)34-29-20-23(14-15-32-29)4-11-27-21-33-30-13-12-28(35-37(27)30)24-5-7-25(8-6-24)31(38)36-16-18-39-19-17-36;26-25(27,28)20-14-17(2-4-19(20)24(35)33-9-11-36-12-10-33)21-5-6-23-31-15-18(34(23)32-21)3-1-16-7-8-30-22(29)13-16;25-22-15-17(9-10-26-22)1-6-20-16-27-23-8-7-21(28-30(20)23)18-2-4-19(5-3-18)24(31)29-11-13-32-14-12-29/h3-6,8-11,13-16,21-23H,17-20H2,1-2H3,(H,34,36);2-3,5-10,12-15,20-21H,16-19H2,1H3,(H,32,34);2,4-8,13-15H,9-12H2,(H2,29,30);2-5,7-10,15-16H,11-14H2,(H2,25,26)
• InChIKey: KPCPNDTYUHSYPI-UHFFFAOYSA-N
• XLogP: 15.76
• TPSA: 366.58 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 28
• Rotatable Bonds: 13
• Heavy Atoms: 148
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1974.16
LogP ≤ 5	15.76
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	28

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-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The IUPAC name of [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (CID 159199580) is [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

What is the SMILES notation for [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The canonical SMILES for [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is CC(C)c1ccccc1Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)ccn1.Cc1ccc(Nc2cc(C#Cc3cnc4ccc(-c5ccc(C(=O)N6CCOCC6)cc5)nn34)ccn2)cc1.Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)c(C(F)(F)F)c4)nn23)ccn1.Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)nn23)ccn1.

What is the InChIKey of [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The InChIKey is KPCPNDTYUHSYPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H30N6O2.C31H26N6O2.C25H19F3N6O2.C24H20N6O2/c1-23(2)28-5-3-4-6-30(28)36-31-21-24(15-16-34-31)7-12-27-22-35-32-14-13-29(37-39(27)32)25-8-10-26(11-9-25)33(40)38-17-19-41-20-18-38;1-22-2-9-26(10-3-22)34-29-20-23(14-15-32-29)4-11-27-21-33-30-13-12-28(35-37(27)30)24-5-7-25(8-6-24)31(38)36-16-18-39-19-17-36;26-25(27,28)20-14-17(2-4-19(20)24(35)33-9-11-36-12-10-33)21-5-6-23-31-15-18(34(23)32-21)3-1-16-7-8-30-22(29)13-16;25-22-15-17(9-10-26-22)1-6-20-16-27-23-8-7-21(28-30(20)23)18-2-4-19(5-3-18)24(31)29-11-13-32-14-12-29/h3-6,8-11,13-16,21-23H,17-20H2,1-2H3,(H,34,36);2-3,5-10,12-15,20-21H,16-19H2,1H3,(H,32,34);2,4-8,13-15H,9-12H2,(H2,29,30);2-5,7-10,15-16H,11-14H2,(H2,25,26).

What are the key properties of [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone has a molecular weight of 1974.16 g/mol, XLogP of 15.76, 13 rotatable bonds, 4 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for [4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;[4-[3-[2-(2-amino-4-pyridinyl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]-2-(trifluoromethyl)phenyl]-morpholin-4-ylmethanone;[4-[3-[2-[2-(4-methylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]-morpholin-4-ylmethanone;morpholin-4-yl-[4-[3-[2-[2-(2-propan-2-ylanilino)-4-pyridinyl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is sourced from PubChem (CID 159199580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).