N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

C45H52ClF2N19O4S — CID 157252768

About N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one

N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (PubChem CID 157252768) has the molecular formula C45H52ClF2N19O4S and a molecular weight of 1028.56 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.

Molecular Properties

• Compound Name: N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
• PubChem CID: 157252768
• Molecular Formula: C45H52ClF2N19O4S
• Molecular Weight: 1028.56 g/mol
• Exact Mass: 1027.38
• IUPAC Name: N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one
• SMILES: CC(F)(F)c1nnc2ccc(N3CCCN(S(C)(=O)=O)CC3)nn12.Cc1cnc2ccc(N3CCN(c4cnn(C)c4)C(=O)C3)nn12.O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3nccn3n2)CC1
• InChI: InChI=1S/C17H17ClN6O.C15H17N7O.C13H18F2N6O2S/c18-13-1-3-14(4-2-13)20-17(25)23-11-9-22(10-12-23)16-6-5-15-19-7-8-24(15)21-16;1-11-7-16-13-3-4-14(18-22(11)13)20-5-6-21(15(23)10-20)12-8-17-19(2)9-12;1-13(14,15)12-17-16-10-4-5-11(18-21(10)12)19-6-3-7-20(9-8-19)24(2,22)23/h1-8H,9-12H2,(H,20,25);3-4,7-9H,5-6,10H2,1-2H3;4-5H,3,6-9H2,1-2H3
• InChIKey: AWNJKHHAJGEFEY-UHFFFAOYSA-N
• XLogP: 4.07
• TPSA: 221.03 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 19
• Rotatable Bonds: 7
• Heavy Atoms: 72
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1028.56
LogP ≤ 5	4.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?

The IUPAC name of N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one (CID 157252768) is N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one.

What is the SMILES notation for N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?

The canonical SMILES for N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is CC(F)(F)c1nnc2ccc(N3CCCN(S(C)(=O)=O)CC3)nn12.Cc1cnc2ccc(N3CCN(c4cnn(C)c4)C(=O)C3)nn12.O=C(Nc1ccc(Cl)cc1)N1CCN(c2ccc3nccn3n2)CC1.

What is the InChIKey of N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?

The InChIKey is AWNJKHHAJGEFEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN6O.C15H17N7O.C13H18F2N6O2S/c18-13-1-3-14(4-2-13)20-17(25)23-11-9-22(10-12-23)16-6-5-15-19-7-8-24(15)21-16;1-11-7-16-13-3-4-14(18-22(11)13)20-5-6-21(15(23)10-20)12-8-17-19(2)9-12;1-13(14,15)12-17-16-10-4-5-11(18-21(10)12)19-6-3-7-20(9-8-19)24(2,22)23/h1-8H,9-12H2,(H,20,25);3-4,7-9H,5-6,10H2,1-2H3;4-5H,3,6-9H2,1-2H3.

What are the key properties of N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one?

N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one has a molecular weight of 1028.56 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-chlorophenyl)-4-imidazo[1,2-b]pyridazin-6-ylpiperazine-1-carboxamide;3-(1,1-difluoroethyl)-6-(4-methylsulfonyl-1,4-diazepan-1-yl)-[1,2,4]triazolo[4,3-b]pyridazine;4-(3-methylimidazo[1,2-b]pyridazin-6-yl)-1-(1-methylpyrazol-4-yl)piperazin-2-one is sourced from PubChem (CID 157252768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).