2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

C₆₅H₇₃FN₁₈O₃ — CID 164957954

About 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol

2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (PubChem CID 164957954) has the molecular formula C₆₅H₇₃FN₁₈O₃ and a molecular weight of 1173.42 g/mol. Its IUPAC name is 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.

Molecular Properties

• Compound Name: 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
• PubChem CID: 164957954
• Molecular Formula: C₆₅H₇₃FN₁₈O₃
• Molecular Weight: 1173.42 g/mol
• Exact Mass: 1172.61
• IUPAC Name: 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol
• SMILES: CCC1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.CCC1CCCN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)C1.C[C@@H]1C[C@H](C)CN(c2ccc(-c3ncc(/C=C/c4cnn(C)c4)cc3O)nn2)C1
• InChI: InChI=1S/C24H25FN6O.C22H26N6O.C19H22N6O/c1-3-15-5-4-8-31(13-15)22-7-6-20(27-28-22)24-21(32)11-17(12-26-24)16-9-18-14-30(2)29-23(18)19(25)10-16;1-15-8-16(2)13-28(12-15)21-7-6-19(25-26-21)22-20(29)9-17(10-23-22)4-5-18-11-24-27(3)14-18;1-2-13-4-3-7-25(12-13)18-6-5-16(23-24-18)19-17(26)8-14(9-20-19)15-10-21-22-11-15/h6-7,9-12,14-15,32H,3-5,8,13H2,1-2H3;4-7,9-11,14-16,29H,8,12-13H2,1-3H3;5-6,8-11,13,26H,2-4,7,12H2,1H3,(H,21,22)/b;5-4+;/t;15-,16+
• InChIKey: BKWPROPLKHNPRT-SKLZZDGISA-N
• XLogP: 11.45
• TPSA: 250.74 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 20
• Rotatable Bonds: 12
• Heavy Atoms: 87
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1173.42
LogP ≤ 5	11.45
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	20

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?

The IUPAC name of 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol (CID 164957954) is 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol.

What is the SMILES notation for 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?

The canonical SMILES for 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is CCC1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.CCC1CCCN(c2ccc(-c3ncc(-c4cn[nH]c4)cc3O)nn2)C1.C[C@@H]1C[C@H](C)CN(c2ccc(-c3ncc(/C=C/c4cnn(C)c4)cc3O)nn2)C1.

What is the InChIKey of 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?

The InChIKey is BKWPROPLKHNPRT-SKLZZDGISA-N. The full InChI is InChI=1S/C24H25FN6O.C22H26N6O.C19H22N6O/c1-3-15-5-4-8-31(13-15)22-7-6-20(27-28-22)24-21(32)11-17(12-26-24)16-9-18-14-30(2)29-23(18)19(25)10-16;1-15-8-16(2)13-28(12-15)21-7-6-19(25-26-21)22-20(29)9-17(10-23-22)4-5-18-11-24-27(3)14-18;1-2-13-4-3-7-25(12-13)18-6-5-16(23-24-18)19-17(26)8-14(9-20-19)15-10-21-22-11-15/h6-7,9-12,14-15,32H,3-5,8,13H2,1-2H3;4-7,9-11,14-16,29H,8,12-13H2,1-3H3;5-6,8-11,13,26H,2-4,7,12H2,1H3,(H,21,22)/b;5-4+;/t;15-,16+;.

What are the key properties of 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol?

2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol has a molecular weight of 1173.42 g/mol, XLogP of 11.45, 12 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[(3S,5R)-3,5-dimethylpiperidin-1-yl]pyridazin-3-yl]-5-[(E)-2-(1-methylpyrazol-4-yl)ethenyl]pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;2-[6-(3-ethylpiperidin-1-yl)pyridazin-3-yl]-5-(1H-pyrazol-4-yl)pyridin-3-ol is sourced from PubChem (CID 164957954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 164957954 — identifiers, structure, computed properties (public domain)

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