2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol

C65H67F2N21O3S3 — CID 157209200

About 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol

2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol (PubChem CID 157209200) has the molecular formula C65H67F2N21O3S3 and a molecular weight of 1324.59 g/mol. Its IUPAC name is 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol.

Molecular Properties

• Compound Name: 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
• PubChem CID: 157209200
• Molecular Formula: C65H67F2N21O3S3
• Molecular Weight: 1324.59 g/mol
• Exact Mass: 1323.49
• IUPAC Name: 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol
• SMILES: CN(c1nc2nnc(-c3ccc(-c4cn[nH]c4)cc3O)cc2s1)C1CCN(C2CC2)CC1.CN(c1nc2nnc(-c3ccc(-c4cn[nH]c4)cc3O)cc2s1)C1CCN(CCF)CC1.CN1CC2(C1)CN(c1nc3nnc(-c4ccc(-c5cn[nH]c5F)cc4O)cc3s1)C2
• InChI: InChI=1S/C23H25N7OS.C22H24FN7OS.C20H18FN7OS/c1-29(16-6-8-30(9-7-16)17-3-4-17)23-26-22-21(32-23)11-19(27-28-22)18-5-2-14(10-20(18)31)15-12-24-25-13-15;1-29(16-4-7-30(8-5-16)9-6-23)22-26-21-20(32-22)11-18(27-28-21)17-3-2-14(10-19(17)31)15-12-24-25-13-15;1-27-7-20(8-27)9-28(10-20)19-23-18-16(30-19)5-14(24-26-18)12-3-2-11(4-15(12)29)13-6-22-25-17(13)21/h2,5,10-13,16-17,31H,3-4,6-9H2,1H3,(H,24,25);2-3,10-13,16,31H,4-9H2,1H3,(H,24,25);2-6,29H,7-10H2,1H3,(H,22,25)
• InChIKey: ARRUWURRCYCTSS-UHFFFAOYSA-N
• XLogP: 10.37
• TPSA: 282.18 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 24
• Rotatable Bonds: 14
• Heavy Atoms: 94
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1324.59
LogP ≤ 5	10.37
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?

The IUPAC name of 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol (CID 157209200) is 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol.

What is the SMILES notation for 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?

The canonical SMILES for 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol is CN(c1nc2nnc(-c3ccc(-c4cn[nH]c4)cc3O)cc2s1)C1CCN(C2CC2)CC1.CN(c1nc2nnc(-c3ccc(-c4cn[nH]c4)cc3O)cc2s1)C1CCN(CCF)CC1.CN1CC2(C1)CN(c1nc3nnc(-c4ccc(-c5cn[nH]c5F)cc4O)cc3s1)C2.

What is the InChIKey of 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?

The InChIKey is ARRUWURRCYCTSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7OS.C22H24FN7OS.C20H18FN7OS/c1-29(16-6-8-30(9-7-16)17-3-4-17)23-26-22-21(32-23)11-19(27-28-22)18-5-2-14(10-20(18)31)15-12-24-25-13-15;1-29(16-4-7-30(8-5-16)9-6-23)22-26-21-20(32-22)11-18(27-28-21)17-3-2-14(10-19(17)31)15-12-24-25-13-15;1-27-7-20(8-27)9-28(10-20)19-23-18-16(30-19)5-14(24-26-18)12-3-2-11(4-15(12)29)13-6-22-25-17(13)21/h2,5,10-13,16-17,31H,3-4,6-9H2,1H3,(H,24,25);2-3,10-13,16,31H,4-9H2,1H3,(H,24,25);2-6,29H,7-10H2,1H3,(H,22,25).

What are the key properties of 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol?

2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol has a molecular weight of 1324.59 g/mol, XLogP of 10.37, 14 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(1-cyclopropylpiperidin-4-yl)-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;2-[6-[[1-(2-fluoroethyl)piperidin-4-yl]-methylamino]-[1,3]thiazolo[4,5-c]pyridazin-3-yl]-5-(1H-pyrazol-4-yl)phenol;5-(5-fluoro-1H-pyrazol-4-yl)-2-[6-(6-methyl-2,6-diazaspiro[3.3]heptan-2-yl)-[1,3]thiazolo[4,5-c]pyridazin-3-yl]phenol is sourced from PubChem (CID 157209200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).