2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile

C75H80F3N19O6 — CID 164963974

About 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile

2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile (PubChem CID 164963974) has the molecular formula C75H80F3N19O6 and a molecular weight of 1400.59 g/mol. Its IUPAC name is 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile.

Molecular Properties

• Compound Name: 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile
• PubChem CID: 164963974
• Molecular Formula: C75H80F3N19O6
• Molecular Weight: 1400.59 g/mol
• Exact Mass: 1399.65
• IUPAC Name: 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile
• SMILES: C[C@]12CC[C@](C)(CC(Oc3ccc(-c4ncc(-c5cncnc5)cc4O)nn3)C1)N2.Cn1cc2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1.Cn1cc2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(F)c2n1
• InChI: InChI=1S/C27H28FN7O2.C26H28F2N6O2.C22H24N6O2/c1-26(2)11-21(25(28)27(3,4)34-26)37-22-7-6-19(31-32-22)24-20(36)10-17(13-30-24)15-8-16(12-29)23-18(9-15)14-35(5)33-23;1-25(2)11-20(24(28)26(3,4)33-25)36-21-7-6-18(30-31-21)23-19(35)10-15(12-29-23)14-8-16-13-34(5)32-22(16)17(27)9-14;1-21-5-6-22(2,28-21)9-16(8-21)30-19-4-3-17(26-27-19)20-18(29)7-14(12-25-20)15-10-23-13-24-11-15/h6-10,13-14,21,25,34,36H,11H2,1-5H3;6-10,12-13,20,24,33,35H,11H2,1-5H3;3-4,7,10-13,16,28-29H,5-6,8-9H2,1-2H3/t21-,25-;20-,24-;16?,21-,22+/m00./s1
• InChIKey: CFKGRLVWYRMTPW-MCJNPGHLSA-N
• XLogP: 12.02
• TPSA: 325.69 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 25
• Rotatable Bonds: 12
• Heavy Atoms: 103
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1400.59
LogP ≤ 5	12.02
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile?

The IUPAC name of 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile (CID 164963974) is 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile.

What is the SMILES notation for 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile?

The canonical SMILES for 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile is C[C@]12CC[C@](C)(CC(Oc3ccc(-c4ncc(-c5cncnc5)cc4O)nn3)C1)N2.Cn1cc2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(C#N)c2n1.Cn1cc2cc(-c3cnc(-c4ccc(O[C@H]5CC(C)(C)NC(C)(C)[C@H]5F)nn4)c(O)c3)cc(F)c2n1.

What is the InChIKey of 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile?

The InChIKey is CFKGRLVWYRMTPW-MCJNPGHLSA-N. The full InChI is InChI=1S/C27H28FN7O2.C26H28F2N6O2.C22H24N6O2/c1-26(2)11-21(25(28)27(3,4)34-26)37-22-7-6-19(31-32-22)24-20(36)10-17(13-30-24)15-8-16(12-29)23-18(9-15)14-35(5)33-23;1-25(2)11-20(24(28)26(3,4)33-25)36-21-7-6-18(30-31-21)23-19(35)10-15(12-29-23)14-8-16-13-34(5)32-22(16)17(27)9-14;1-21-5-6-22(2,28-21)9-16(8-21)30-19-4-3-17(26-27-19)20-18(29)7-14(12-25-20)15-10-23-13-24-11-15/h6-10,13-14,21,25,34,36H,11H2,1-5H3;6-10,12-13,20,24,33,35H,11H2,1-5H3;3-4,7,10-13,16,28-29H,5-6,8-9H2,1-2H3/t21-,25-;20-,24-;16?,21-,22+/m00./s1.

What are the key properties of 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile?

2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile has a molecular weight of 1400.59 g/mol, XLogP of 12.02, 12 rotatable bonds, 6 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[[(1S,5R)-1,5-dimethyl-8-azabicyclo[3.2.1]octan-3-yl]oxy]pyridazin-3-yl]-5-pyrimidin-5-ylpyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]pyridin-3-ol;5-[6-[6-[(3R,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-hydroxy-3-pyridinyl]-2-methylindazole-7-carbonitrile is sourced from PubChem (CID 164963974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).