6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine

C85H70F9N33O2S — CID 158430657

About 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine

6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine (PubChem CID 158430657) has the molecular formula C85H70F9N33O2S and a molecular weight of 1788.77 g/mol. Its IUPAC name is 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine.

Molecular Properties

• Compound Name: 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
• PubChem CID: 158430657
• Molecular Formula: C85H70F9N33O2S
• Molecular Weight: 1788.77 g/mol
• Exact Mass: 1787.60
• IUPAC Name: 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine
• SMILES: Fc1cc2c(cc1C(F)(F)c1nnc3ccc(-c4cnn(C5CC5)c4)nn13)=CCN=2.NC1=Nc2ccc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)cc2C1.Nc1nc2cc(F)c(Cc3nnc4ccc(-c5cnn(C6CC6)c5)nn34)cc2s1.O=C(NCCN1CCOCC1)n1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1
• InChI: InChI=1S/C26H25F3N10O2.C20H14F3N7.C20H16F2N8.C19H15FN8S/c27-20-12-22-16(14-38(34-22)25(40)30-5-6-36-7-9-41-10-8-36)11-19(20)26(28,29)24-33-32-23-4-3-21(35-39(23)24)17-13-31-37(15-17)18-1-2-18;21-15-8-17-11(5-6-24-17)7-14(15)20(22,23)19-27-26-18-4-3-16(28-30(18)19)12-9-25-29(10-12)13-1-2-13;21-20(22,13-1-4-15-11(7-13)8-17(23)25-15)19-27-26-18-6-5-16(28-30(18)19)12-9-24-29(10-12)14-2-3-14;20-13-7-15-16(29-19(21)23-15)5-10(13)6-18-25-24-17-4-3-14(26-28(17)18)11-8-22-27(9-11)12-1-2-12/h3-4,11-15,18H,1-2,5-10H2,(H,30,40);3-5,7-10,13H,1-2,6H2;1,4-7,9-10,14H,2-3,8H2,(H2,23,25);3-5,7-9,12H,1-2,6H2,(H2,21,23)
• InChIKey: HBPRLPSNKRUQLM-UHFFFAOYSA-N
• XLogP: 11.11
• TPSA: 392.64 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 35
• Rotatable Bonds: 19
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1788.77
LogP ≤ 5	11.11
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	35

Frequently Asked Questions

What is the IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine?

The IUPAC name of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine (CID 158430657) is 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine.

What is the SMILES notation for 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine?

The canonical SMILES for 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine is Fc1cc2c(cc1C(F)(F)c1nnc3ccc(-c4cnn(C5CC5)c4)nn13)=CCN=2.NC1=Nc2ccc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)cc2C1.Nc1nc2cc(F)c(Cc3nnc4ccc(-c5cnn(C6CC6)c5)nn34)cc2s1.O=C(NCCN1CCOCC1)n1cc2cc(C(F)(F)c3nnc4ccc(-c5cnn(C6CC6)c5)nn34)c(F)cc2n1.

What is the InChIKey of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine?

The InChIKey is HBPRLPSNKRUQLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25F3N10O2.C20H14F3N7.C20H16F2N8.C19H15FN8S/c27-20-12-22-16(14-38(34-22)25(40)30-5-6-36-7-9-41-10-8-36)11-19(20)26(28,29)24-33-32-23-4-3-21(35-39(23)24)17-13-31-37(15-17)18-1-2-18;21-15-8-17-11(5-6-24-17)7-14(15)20(22,23)19-27-26-18-4-3-16(28-30(18)19)12-9-25-29(10-12)13-1-2-13;21-20(22,13-1-4-15-11(7-13)8-17(23)25-15)19-27-26-18-6-5-16(28-30(18)19)12-9-24-29(10-12)14-2-3-14;20-13-7-15-16(29-19(21)23-15)5-10(13)6-18-25-24-17-4-3-14(26-28(17)18)11-8-22-27(9-11)12-1-2-12/h3-4,11-15,18H,1-2,5-10H2,(H,30,40);3-5,7-10,13H,1-2,6H2;1,4-7,9-10,14H,2-3,8H2,(H2,23,25);3-5,7-9,12H,1-2,6H2,(H2,21,23).

What are the key properties of 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine?

6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine has a molecular weight of 1788.77 g/mol, XLogP of 11.11, 19 rotatable bonds, 3 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(1-cyclopropylpyrazol-4-yl)-3-[difluoro-(6-fluoro-2H-indol-5-yl)methyl]-[1,2,4]triazolo[4,3-b]pyridazine;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-6-fluoro-N-(2-morpholin-4-ylethyl)indazole-2-carboxamide;5-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]-difluoromethyl]-3H-indol-2-amine;6-[[6-(1-cyclopropylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-5-fluoro-1,3-benzothiazol-2-amine is sourced from PubChem (CID 158430657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).