N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

C135H106F3N31O11 — CID 161101299

About N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone

N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (PubChem CID 161101299) has the molecular formula C135H106F3N31O11 and a molecular weight of 2395.53 g/mol. Its IUPAC name is N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

Molecular Properties

• Compound Name: N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• PubChem CID: 161101299
• Molecular Formula: C135H106F3N31O11
• Molecular Weight: 2395.53 g/mol
• Exact Mass: 2393.86
• IUPAC Name: N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone
• SMILES: CC(=O)Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCN(C)C(=O)C5)cc4)nn23)ccn1.CN1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccnc6[nH]ccc56)n4n3)cc2)CC1=O.Cn1c(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc2cccnc21.O=C(c1ccc(-c2ccc3ncc(C#Cc4c[nH]c5ncc(C(F)(F)F)cc45)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4c[nH]c5ncccc45)n3n2)cc1)N1CCOCC1
• InChI: InChI=1S/C28H23N5O2.C27H19F3N6O2.C27H23N7O3.C27H21N7O2.C26H20N6O2/c1-31-24(17-22-3-2-12-29-27(22)31)9-10-25-18-30-26-11-8-23(19-33(25)26)20-4-6-21(7-5-20)28(34)32-13-15-35-16-14-32;28-27(29,30)20-13-22-19(14-32-25(22)33-15-20)5-6-21-16-31-24-8-7-23(34-36(21)24)17-1-3-18(4-2-17)26(37)35-9-11-38-12-10-35;1-18(35)30-24-15-19(11-12-28-24)3-8-22-16-29-25-10-9-23(31-34(22)25)20-4-6-21(7-5-20)27(37)33-14-13-32(2)26(36)17-33;1-32-14-15-33(17-25(32)35)27(36)20-4-2-19(3-5-20)23-8-9-24-30-16-21(34(24)31-23)7-6-18-10-12-28-26-22(18)11-13-29-26;33-26(31-12-14-34-15-13-31)19-5-3-18(4-6-19)23-9-10-24-28-17-21(32(24)30-23)8-7-20-16-29-25-22(20)2-1-11-27-25/h2-8,11-12,17-19H,13-16H2,1H3;1-4,7-8,13-16H,9-12H2,(H,32,33);4-7,9-12,15-16H,13-14,17H2,1-2H3,(H,28,30,35);2-5,8-13,16H,14-15,17H2,1H3,(H,28,29);1-6,9-11,16-17H,12-15H2,(H,27,29)
• InChIKey: UILMLDTZUOTSPO-UHFFFAOYSA-N
• XLogP: 15.72
• TPSA: 453.77 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 31
• Rotatable Bonds: 11
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2395.53
LogP ≤ 5	15.72
H-Bond Donors ≤ 5	4
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 N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The IUPAC name of N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone (CID 161101299) is N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone.

What is the SMILES notation for N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The canonical SMILES for N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is CC(=O)Nc1cc(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCN(C)C(=O)C5)cc4)nn23)ccn1.CN1CCN(C(=O)c2ccc(-c3ccc4ncc(C#Cc5ccnc6[nH]ccc56)n4n3)cc2)CC1=O.Cn1c(C#Cc2cnc3ccc(-c4ccc(C(=O)N5CCOCC5)cc4)cn23)cc2cccnc21.O=C(c1ccc(-c2ccc3ncc(C#Cc4c[nH]c5ncc(C(F)(F)F)cc45)n3n2)cc1)N1CCOCC1.O=C(c1ccc(-c2ccc3ncc(C#Cc4c[nH]c5ncccc45)n3n2)cc1)N1CCOCC1.

What is the InChIKey of N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

The InChIKey is UILMLDTZUOTSPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H23N5O2.C27H19F3N6O2.C27H23N7O3.C27H21N7O2.C26H20N6O2/c1-31-24(17-22-3-2-12-29-27(22)31)9-10-25-18-30-26-11-8-23(19-33(25)26)20-4-6-21(7-5-20)28(34)32-13-15-35-16-14-32;28-27(29,30)20-13-22-19(14-32-25(22)33-15-20)5-6-21-16-31-24-8-7-23(34-36(21)24)17-1-3-18(4-2-17)26(37)35-9-11-38-12-10-35;1-18(35)30-24-15-19(11-12-28-24)3-8-22-16-29-25-10-9-23(31-34(22)25)20-4-6-21(7-5-20)27(37)33-14-13-32(2)26(36)17-33;1-32-14-15-33(17-25(32)35)27(36)20-4-2-19(3-5-20)23-8-9-24-30-16-21(34(24)31-23)7-6-18-10-12-28-26-22(18)11-13-29-26;33-26(31-12-14-34-15-13-31)19-5-3-18(4-6-19)23-9-10-24-28-17-21(32(24)30-23)8-7-20-16-29-25-22(20)2-1-11-27-25/h2-8,11-12,17-19H,13-16H2,1H3;1-4,7-8,13-16H,9-12H2,(H,32,33);4-7,9-12,15-16H,13-14,17H2,1-2H3,(H,28,30,35);2-5,8-13,16H,14-15,17H2,1H3,(H,28,29);1-6,9-11,16-17H,12-15H2,(H,27,29).

What are the key properties of N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone?

N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone has a molecular weight of 2395.53 g/mol, XLogP of 15.72, 11 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[2-[6-[4-(4-methyl-3-oxopiperazine-1-carbonyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]ethynyl]-2-pyridinyl]acetamide;[4-[3-[2-(1-methylpyrrolo[2,3-b]pyridin-2-yl)ethynyl]imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone;1-methyl-4-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-4-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]benzoyl]piperazin-2-one;morpholin-4-yl-[4-[3-[2-(1H-pyrrolo[2,3-b]pyridin-3-yl)ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone;morpholin-4-yl-[4-[3-[2-[5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridin-3-yl]ethynyl]imidazo[1,2-b]pyridazin-6-yl]phenyl]methanone is sourced from PubChem (CID 161101299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).