2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol

C67H71F3N20O5 — CID 165017445

About 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol

2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol (PubChem CID 165017445) has the molecular formula C67H71F3N20O5 and a molecular weight of 1293.43 g/mol. Its IUPAC name is 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol.

Molecular Properties

• Compound Name: 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
• PubChem CID: 165017445
• Molecular Formula: C67H71F3N20O5
• Molecular Weight: 1293.43 g/mol
• Exact Mass: 1292.59
• IUPAC Name: 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol
• SMILES: CC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)[C@H](F)C(C)(C)N1O.CN1CCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CC1.Cn1cc2cc(-c3cnc(-c4ccc(N5CCN(C6CC6)CC5)nn4)c(O)c3)cc(F)c2n1
• InChI: InChI=1S/C24H24FN7O.C22H22FN7O.C21H25FN6O3/c1-30-14-17-10-15(11-19(25)23(17)29-30)16-12-21(33)24(26-13-16)20-4-5-22(28-27-20)32-8-6-31(7-9-32)18-2-3-18;1-28-5-7-30(8-6-28)20-4-3-18(25-26-20)22-19(31)11-15(12-24-22)14-9-16-13-29(2)27-21(16)17(23)10-14;1-20(2)8-16(19(22)21(3,4)28(20)30)31-17-6-5-14(26-27-17)18-15(29)7-12(9-23-18)13-10-24-25-11-13/h4-5,10-14,18,33H,2-3,6-9H2,1H3;3-4,9-13,31H,5-8H2,1-2H3;5-7,9-11,16,19,29-30H,8H2,1-4H3,(H,24,25)/t;;16-,19-/m..0/s1
• InChIKey: LOVAWNWBGCSOID-CRPWDMEYSA-N
• XLogP: 9.28
• TPSA: 286.68 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 11
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1293.43
LogP ≤ 5	9.28
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?

The IUPAC name of 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol (CID 165017445) is 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol.

What is the SMILES notation for 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?

The canonical SMILES for 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol is CC1(C)C[C@H](Oc2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)[C@H](F)C(C)(C)N1O.CN1CCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CC1.Cn1cc2cc(-c3cnc(-c4ccc(N5CCN(C6CC6)CC5)nn4)c(O)c3)cc(F)c2n1.

What is the InChIKey of 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?

The InChIKey is LOVAWNWBGCSOID-CRPWDMEYSA-N. The full InChI is InChI=1S/C24H24FN7O.C22H22FN7O.C21H25FN6O3/c1-30-14-17-10-15(11-19(25)23(17)29-30)16-12-21(33)24(26-13-16)20-4-5-22(28-27-20)32-8-6-31(7-9-32)18-2-3-18;1-28-5-7-30(8-6-28)20-4-3-18(25-26-20)22-19(31)11-15(12-24-22)14-9-16-13-29(2)27-21(16)17(23)10-14;1-20(2)8-16(19(22)21(3,4)28(20)30)31-17-6-5-14(26-27-17)18-15(29)7-12(9-23-18)13-10-24-25-11-13/h4-5,10-14,18,33H,2-3,6-9H2,1H3;3-4,9-13,31H,5-8H2,1-2H3;5-7,9-11,16,19,29-30H,8H2,1-4H3,(H,24,25)/t;;16-,19-/m..0/s1.

What are the key properties of 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol?

2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol has a molecular weight of 1293.43 g/mol, XLogP of 9.28, 11 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(4-cyclopropylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-[(3R,4S)-3-fluoro-1-hydroxy-2,2,6,6-tetramethylpiperidin-4-yl]oxypyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 165017445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).