2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol

C69H67F3N18O3 — CID 164984253

IUPAC2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol
SMILESC[C@@H]1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.C[C@H]1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.Cn1cc2cc(-c3cnc(-c4ccc(N5CC6CCC5C6)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C23H21FN6O.2C23H23FN6O/c1-29-12-16-7-14(8-18(24)22(16)28-29)15-9-20(31)23(25-10-15)19-4-5-21(27-26-19)30-11-13-2-3-17(30)6-13;2*1-14-4-3-7-30(12-14)21-6-5-19(26-27-21)23-20(31)10-16(11-25-23)15-8-17-13-29(2)28-22(17)18(24)9-15/h4-5,7-10,12-13,17,31H,2-3,6,11H2,1H3;2*5-6,8-11,13-14,31H,3-4,7,12H2,1-2H3/t;2*14-/m.10/s1
InChIKeyFXSKMMDVXXGAPQ-QZCYTAHUSA-N
MW1253.41 g/mol
LogP12.27
Rot. Bonds9

About 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol

2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol (PubChem CID 164984253) has the molecular formula C69H67F3N18O3 and a molecular weight of 1253.41 g/mol. Its IUPAC name is 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol.

Molecular Properties

Compound Name2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol
PubChem CID164984253
Molecular FormulaC69H67F3N18O3
Molecular Weight1253.41 g/mol
Exact Mass1252.56
IUPAC Name2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol
SMILESC[C@@H]1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.C[C@H]1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.Cn1cc2cc(-c3cnc(-c4ccc(N5CC6CCC5C6)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C23H21FN6O.2C23H23FN6O/c1-29-12-16-7-14(8-18(24)22(16)28-29)15-9-20(31)23(25-10-15)19-4-5-21(27-26-19)30-11-13-2-3-17(30)6-13;2*1-14-4-3-7-30(12-14)21-6-5-19(26-27-21)23-20(31)10-16(11-25-23)15-8-17-13-29(2)28-22(17)18(24)9-15/h4-5,7-10,12-13,17,31H,2-3,6,11H2,1H3;2*5-6,8-11,13-14,31H,3-4,7,12H2,1-2H3/t;2*14-/m.10/s1
InChIKeyFXSKMMDVXXGAPQ-QZCYTAHUSA-N
XLogP12.27
TPSA239.88 Ų
H-Bond Donors3
H-Bond Acceptors21
Rotatable Bonds9
Heavy Atoms93
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001253.41
LogP ≤ 512.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1021

Analyze 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The IUPAC name of 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol (CID 164984253) is 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol.
What is the SMILES notation for 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The canonical SMILES for 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol is C[C@@H]1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.C[C@H]1CCCN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C1.Cn1cc2cc(-c3cnc(-c4ccc(N5CC6CCC5C6)nn4)c(O)c3)cc(F)c2n1.
What is the InChIKey of 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol?
The InChIKey is FXSKMMDVXXGAPQ-QZCYTAHUSA-N. The full InChI is InChI=1S/C23H21FN6O.2C23H23FN6O/c1-29-12-16-7-14(8-18(24)22(16)28-29)15-9-20(31)23(25-10-15)19-4-5-21(27-26-19)30-11-13-2-3-17(30)6-13;2*1-14-4-3-7-30(12-14)21-6-5-19(26-27-21)23-20(31)10-16(11-25-23)15-8-17-13-29(2)28-22(17)18(24)9-15/h4-5,7-10,12-13,17,31H,2-3,6,11H2,1H3;2*5-6,8-11,13-14,31H,3-4,7,12H2,1-2H3/t;2*14-/m.10/s1.
What are the key properties of 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol?
2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol has a molecular weight of 1253.41 g/mol, XLogP of 12.27, 9 rotatable bonds, 3 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(2-azabicyclo[2.2.1]heptan-2-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3R)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol;5-(7-fluoro-2-methylindazol-5-yl)-2-[6-[(3S)-3-methylpiperidin-1-yl]pyridazin-3-yl]pyridin-3-ol is sourced from PubChem (CID 164984253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).