2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol

C23H24FN7O — CID 155287348

IUPAC2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESCCC1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1
InChIInChI=1S/C23H24FN7O/c1-3-17-13-31(7-6-25-17)21-5-4-19(27-28-21)23-20(32)10-15(11-26-23)14-8-16-12-30(2)29-22(16)18(24)9-14/h4-5,8-12,17,25,32H,3,6-7,13H2,1-2H3
InChIKeyWHQRPEHDKAJBHE-UHFFFAOYSA-N
MW433.49 g/mol
LogP3.13
Rot. Bonds4

About 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol

2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (PubChem CID 155287348) has the molecular formula C23H24FN7O and a molecular weight of 433.49 g/mol. Its IUPAC name is 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
PubChem CID155287348
Molecular FormulaC23H24FN7O
Molecular Weight433.49 g/mol
Exact Mass433.20
IUPAC Name2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESCCC1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1
InChIInChI=1S/C23H24FN7O/c1-3-17-13-31(7-6-25-17)21-5-4-19(27-28-21)23-20(32)10-15(11-26-23)14-8-16-12-30(2)29-22(16)18(24)9-14/h4-5,8-12,17,25,32H,3,6-7,13H2,1-2H3
InChIKeyWHQRPEHDKAJBHE-UHFFFAOYSA-N
XLogP3.13
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.49
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The IUPAC name of 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (CID 155287348) is 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is CCC1CN(c2ccc(-c3ncc(-c4cc(F)c5nn(C)cc5c4)cc3O)nn2)CCN1.
What is the InChIKey of 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The InChIKey is WHQRPEHDKAJBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7O/c1-3-17-13-31(7-6-25-17)21-5-4-19(27-28-21)23-20(32)10-15(11-26-23)14-8-16-12-30(2)29-22(16)18(24)9-14/h4-5,8-12,17,25,32H,3,6-7,13H2,1-2H3.
What are the key properties of 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
2-[6-(3-ethylpiperazin-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 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(3-ethylpiperazin-1-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is sourced from PubChem (CID 155287348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).