2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol

C23H22FN7O — CID 155287213

IUPAC2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(N5CCNC6(CC6)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C23H22FN7O/c1-30-12-16-8-14(9-17(24)21(16)29-30)15-10-19(32)22(25-11-15)18-2-3-20(28-27-18)31-7-6-26-23(13-31)4-5-23/h2-3,8-12,26,32H,4-7,13H2,1H3
InChIKeyAMNZDDCMBQPNJI-UHFFFAOYSA-N
MW431.48 g/mol
LogP2.88
Rot. Bonds3

About 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol

2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (PubChem CID 155287213) has the molecular formula C23H22FN7O and a molecular weight of 431.48 g/mol. Its IUPAC name is 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
PubChem CID155287213
Molecular FormulaC23H22FN7O
Molecular Weight431.48 g/mol
Exact Mass431.19
IUPAC Name2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESCn1cc2cc(-c3cnc(-c4ccc(N5CCNC6(CC6)C5)nn4)c(O)c3)cc(F)c2n1
InChIInChI=1S/C23H22FN7O/c1-30-12-16-8-14(9-17(24)21(16)29-30)15-10-19(32)22(25-11-15)18-2-3-20(28-27-18)31-7-6-26-23(13-31)4-5-23/h2-3,8-12,26,32H,4-7,13H2,1H3
InChIKeyAMNZDDCMBQPNJI-UHFFFAOYSA-N
XLogP2.88
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.48
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The IUPAC name of 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (CID 155287213) is 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is Cn1cc2cc(-c3cnc(-c4ccc(N5CCNC6(CC6)C5)nn4)c(O)c3)cc(F)c2n1.
What is the InChIKey of 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The InChIKey is AMNZDDCMBQPNJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7O/c1-30-12-16-8-14(9-17(24)21(16)29-30)15-10-19(32)22(25-11-15)18-2-3-20(28-27-18)31-7-6-26-23(13-31)4-5-23/h2-3,8-12,26,32H,4-7,13H2,1H3.
What are the key properties of 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol has a molecular weight of 431.48 g/mol, XLogP of 2.88, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4,7-diazaspiro[2.5]octan-7-yl)pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is sourced from PubChem (CID 155287213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).