2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide)

C180H202F4N42O17S10 — CID 165051554

About 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide)

2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide) (PubChem CID 165051554) has the molecular formula C180H202F4N42O17S10 and a molecular weight of 3622.53 g/mol. Its IUPAC name is 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide).

Molecular Properties

• Compound Name: 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide)
• PubChem CID: 165051554
• Molecular Formula: C180H202F4N42O17S10
• Molecular Weight: 3622.53 g/mol
• Exact Mass: 3619.34
• IUPAC Name: 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide)
• SMILES: C#Cc1ccc(N2CCN(C(=O)Cc3ccc(NS(=O)(=O)CC)cc3)CC2)nn1.CC(F)(F)c1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nn1.CC(F)(F)c1ccc(N2CCN(C(=O)Cc3ccc(NS(C)(=O)=O)cc3)CC2)nn1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3s2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3s2)CC1
• InChI: InChI=1S/C21H24F2N4O.2C21H22N4OS.C20H23N5O3S.2C20H23N5OS.C19H23F2N5O3S.2C19H21N5O3S2/c1-21(22,23)18-8-9-19(25-24-18)26-10-12-27(13-11-26)20(28)14-15-2-4-16(5-3-15)17-6-7-17;2*26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;1-3-17-9-10-19(22-21-17)24-11-13-25(14-12-24)20(26)15-16-5-7-18(8-6-16)23-29(27,28)4-2;2*1-23(2)16-7-5-15(6-8-16)14-18(26)24-10-12-25(13-11-24)20-22-19-17(27-20)4-3-9-21-19;1-19(20,21)16-7-8-17(23-22-16)25-9-11-26(12-10-25)18(27)13-14-3-5-15(6-4-14)24-30(2,28)29;2*1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-18-16(28-19)3-2-8-20-18/h2-5,8-9,17H,6-7,10-14H2,1H3;2*1-6,9,17H,7-8,10-14H2;1,5-10,23H,4,11-15H2,2H3;2*3-9H,10-14H2,1-2H3;3-8,24H,9-13H2,1-2H3;2*2-8,22H,9-13H2,1H3
• InChIKey: PSWMURFNHBDBNK-UHFFFAOYSA-N
• XLogP: 22.44
• TPSA: 635.13 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 52
• Rotatable Bonds: 43
• Heavy Atoms: 253
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	3622.53
LogP ≤ 5	22.44
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	52

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide)?

The IUPAC name of 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide) (CID 165051554) is 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide).

What is the SMILES notation for 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide)?

The canonical SMILES for 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide) is C#Cc1ccc(N2CCN(C(=O)Cc3ccc(NS(=O)(=O)CC)cc3)CC2)nn1.CC(F)(F)c1ccc(N2CCN(C(=O)Cc3ccc(C4CC4)cc3)CC2)nn1.CC(F)(F)c1ccc(N2CCN(C(=O)Cc3ccc(NS(C)(=O)=O)cc3)CC2)nn1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.CN(C)c1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.CS(=O)(=O)Nc1ccc(CC(=O)N2CCN(c3nc4ncccc4s3)CC2)cc1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3s2)CC1.O=C(Cc1ccc(C2CC2)cc1)N1CCN(c2nc3ncccc3s2)CC1.

What is the InChIKey of 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide)?

The InChIKey is PSWMURFNHBDBNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O.2C21H22N4OS.C20H23N5O3S.2C20H23N5OS.C19H23F2N5O3S.2C19H21N5O3S2/c1-21(22,23)18-8-9-19(25-24-18)26-10-12-27(13-11-26)20(28)14-15-2-4-16(5-3-15)17-6-7-17;2*26-19(14-15-3-5-16(6-4-15)17-7-8-17)24-10-12-25(13-11-24)21-23-20-18(27-21)2-1-9-22-20;1-3-17-9-10-19(22-21-17)24-11-13-25(14-12-24)20(26)15-16-5-7-18(8-6-16)23-29(27,28)4-2;2*1-23(2)16-7-5-15(6-8-16)14-18(26)24-10-12-25(13-11-24)20-22-19-17(27-20)4-3-9-21-19;1-19(20,21)16-7-8-17(23-22-16)25-9-11-26(12-10-25)18(27)13-14-3-5-15(6-4-14)24-30(2,28)29;2*1-29(26,27)22-15-6-4-14(5-7-15)13-17(25)23-9-11-24(12-10-23)19-21-18-16(28-19)3-2-8-20-18/h2-5,8-9,17H,6-7,10-14H2,1H3;2*1-6,9,17H,7-8,10-14H2;1,5-10,23H,4,11-15H2,2H3;2*3-9H,10-14H2,1-2H3;3-8,24H,9-13H2,1-2H3;2*2-8,22H,9-13H2,1H3.

What are the key properties of 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide)?

2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide) has a molecular weight of 3622.53 g/mol, XLogP of 22.44, 43 rotatable bonds, 4 hydrogen bond donors, and 52 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-cyclopropylphenyl)-1-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]ethanone;bis(2-(4-cyclopropylphenyl)-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-[6-(1,1-difluoroethyl)pyridazin-3-yl]piperazin-1-yl]-2-oxoethyl]phenyl]methanesulfonamide;bis(2-[4-(dimethylamino)phenyl]-1-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethanone);N-[4-[2-[4-(6-ethynylpyridazin-3-yl)piperazin-1-yl]-2-oxoethyl]phenyl]ethanesulfonamide;bis(N-[4-[2-oxo-2-[4-([1,3]thiazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]ethyl]phenyl]methanesulfonamide) is sourced from PubChem (CID 165051554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).