6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline

C134H96ClF12N37O2S3 — CID 160834254

About 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline

6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline (PubChem CID 160834254) has the molecular formula C134H96ClF12N37O2S3 and a molecular weight of 2616.13 g/mol. Its IUPAC name is 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline.

Molecular Properties

• Compound Name: 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline
• PubChem CID: 160834254
• Molecular Formula: C134H96ClF12N37O2S3
• Molecular Weight: 2616.13 g/mol
• Exact Mass: 2613.72
• IUPAC Name: 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline
• SMILES: C#Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1.CCCc1ncc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)s1.CN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5ccc6c(c5)C=CC6)n4n3)s2)CC1.CN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5ccc6c(c5)CCC6)n4n3)s2)CC1.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccnc(Cl)c3)nn12.N#Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1
• InChI: InChI=1S/C25H24F2N6OS.C25H22F2N6OS.C22H12F2N6.C21H11F2N7.C21H16F2N6S.C20H11ClF2N6/c2*1-31-11-13-32(14-12-31)23(34)21-9-8-20(35-21)19-7-10-22-28-29-24(33(22)30-19)25(26,27)18-6-5-16-3-2-4-17(16)15-18;1-2-17-13-15(9-11-25-17)19-7-8-20-27-28-21(30(20)29-19)22(23,24)16-5-6-18-14(12-16)4-3-10-26-18;22-21(23,15-3-4-17-13(10-15)2-1-8-26-17)20-28-27-19-6-5-18(29-30(19)20)14-7-9-25-16(11-14)12-24;1-2-4-19-25-12-17(30-19)16-8-9-18-26-27-20(29(18)28-16)21(22,23)14-6-7-15-13(11-14)5-3-10-24-15;21-17-11-13(7-9-25-17)16-5-6-18-26-27-19(29(18)28-16)20(22,23)14-3-4-15-12(10-14)2-1-8-24-15/h5-10,15H,2-4,11-14H2,1H3;2,4-10,15H,3,11-14H2,1H3;1,3-13H;1-11H;3,5-12H,2,4H2,1H3;1-11H
• InChIKey: SHEYRZHOBLGUIT-UHFFFAOYSA-N
• XLogP: 24.84
• TPSA: 432.49 Ų
• H-Bond Acceptors: 40
• Rotatable Bonds: 22
• Heavy Atoms: 189
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2616.13
LogP ≤ 5	24.84
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	40

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline?

The IUPAC name of 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline (CID 160834254) is 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline.

What is the SMILES notation for 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline?

The canonical SMILES for 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline is C#Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1.CCCc1ncc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)s1.CN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5ccc6c(c5)C=CC6)n4n3)s2)CC1.CN1CCN(C(=O)c2ccc(-c3ccc4nnc(C(F)(F)c5ccc6c(c5)CCC6)n4n3)s2)CC1.FC(F)(c1ccc2ncccc2c1)c1nnc2ccc(-c3ccnc(Cl)c3)nn12.N#Cc1cc(-c2ccc3nnc(C(F)(F)c4ccc5ncccc5c4)n3n2)ccn1.

What is the InChIKey of 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline?

The InChIKey is SHEYRZHOBLGUIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F2N6OS.C25H22F2N6OS.C22H12F2N6.C21H11F2N7.C21H16F2N6S.C20H11ClF2N6/c2*1-31-11-13-32(14-12-31)23(34)21-9-8-20(35-21)19-7-10-22-28-29-24(33(22)30-19)25(26,27)18-6-5-16-3-2-4-17(16)15-18;1-2-17-13-15(9-11-25-17)19-7-8-20-27-28-21(30(20)29-19)22(23,24)16-5-6-18-14(12-16)4-3-10-26-18;22-21(23,15-3-4-17-13(10-15)2-1-8-26-17)20-28-27-19-6-5-18(29-30(19)20)14-7-9-25-16(11-14)12-24;1-2-4-19-25-12-17(30-19)16-8-9-18-26-27-20(29(18)28-16)21(22,23)14-6-7-15-13(11-14)5-3-10-24-15;21-17-11-13(7-9-25-17)16-5-6-18-26-27-19(29(18)28-16)20(22,23)14-3-4-15-12(10-14)2-1-8-24-15/h5-10,15H,2-4,11-14H2,1H3;2,4-10,15H,3,11-14H2,1H3;1,3-13H;1-11H;3,5-12H,2,4H2,1H3;1-11H.

What are the key properties of 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline?

6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline has a molecular weight of 2616.13 g/mol, XLogP of 24.84, 22 rotatable bonds, 0 hydrogen bond donors, and 40 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[6-(2-chloro-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline;[5-[3-[difluoro(1H-inden-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;5-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]-2-propyl-1,3-thiazole;4-[3-[difluoro(quinolin-6-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyridine-2-carbonitrile;[5-[3-[2,3-dihydro-1H-inden-5-yl(difluoro)methyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone;6-[[6-(2-ethynyl-4-pyridinyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]quinoline is sourced from PubChem (CID 160834254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).