2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol

C23H24FN7O — CID 155287202

IUPAC2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C[C@H](C)N1
InChIInChI=1S/C23H24FN7O/c1-13-10-31(11-14(2)26-13)21-5-4-19(27-28-21)23-20(32)8-16(9-25-23)15-6-17-12-30(3)29-22(17)18(24)7-15/h4-9,12-14,26,32H,10-11H2,1-3H3/t13-,14+
InChIKeyPZJIPXYCKROSLJ-OKILXGFUSA-N
MW433.49 g/mol
LogP3.12
Rot. Bonds3

About 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol

2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (PubChem CID 155287202) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
PubChem CID155287202
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESC[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C[C@H](C)N1
InChIInChI=1S/C23H24FN7O/c1-13-10-31(11-14(2)26-13)21-5-4-19(27-28-21)23-20(32)8-16(9-25-23)15-6-17-12-30(3)29-22(17)18(24)7-15/h4-9,12-14,26,32H,10-11H2,1-3H3/t13-,14+
InChIKeyPZJIPXYCKROSLJ-OKILXGFUSA-N
XLogP3.12
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (CID 155287202) is 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is C[C@@H]1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)C[C@H](C)N1.
What is the InChIKey of 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The InChIKey is PZJIPXYCKROSLJ-OKILXGFUSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-13-10-31(11-14(2)26-13)21-5-4-19(27-28-21)23-20(32)8-16(9-25-23)15-6-17-12-30(3)29-22(17)18(24)7-15/h4-9,12-14,26,32H,10-11H2,1-3H3/t13-,14+.
What are the key properties of 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol has a molecular weight of 433.49 g/mol, XLogP of 3.12, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3R,5S)-3,5-dimethylpiperazin-1-yl]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is sourced from PubChem (CID 155287202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).