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

C27H30FN7O — CID 155287181

IUPAC2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESCN(c1ccc(-c2ncc(-c3cc(F)c4nn(C)cc4c3)cc2O)nn1)C1CC(C)(C)NC2(CC2)C1
InChIInChI=1S/C27H30FN7O/c1-26(2)12-19(13-27(33-26)7-8-27)35(4)23-6-5-21(30-31-23)25-22(36)11-17(14-29-25)16-9-18-15-34(3)32-24(18)20(28)10-16/h5-6,9-11,14-15,19,33,36H,7-8,12-13H2,1-4H3
InChIKeyNTNGFCRFWHWNPP-UHFFFAOYSA-N
MW487.58 g/mol
LogP4.44
Rot. Bonds4

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

2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (PubChem CID 155287181) has the molecular formula C27H30FN7O and a molecular weight of 487.58 g/mol. Its IUPAC name is 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.

Molecular Properties

Compound Name2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
PubChem CID155287181
Molecular FormulaC27H30FN7O
Molecular Weight487.58 g/mol
Exact Mass487.25
IUPAC Name2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol
SMILESCN(c1ccc(-c2ncc(-c3cc(F)c4nn(C)cc4c3)cc2O)nn1)C1CC(C)(C)NC2(CC2)C1
InChIInChI=1S/C27H30FN7O/c1-26(2)12-19(13-27(33-26)7-8-27)35(4)23-6-5-21(30-31-23)25-22(36)11-17(14-29-25)16-9-18-15-34(3)32-24(18)20(28)10-16/h5-6,9-11,14-15,19,33,36H,7-8,12-13H2,1-4H3
InChIKeyNTNGFCRFWHWNPP-UHFFFAOYSA-N
XLogP4.44
TPSA91.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.58
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The IUPAC name of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol (CID 155287181) is 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol.
What is the SMILES notation for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The canonical SMILES for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is CN(c1ccc(-c2ncc(-c3cc(F)c4nn(C)cc4c3)cc2O)nn1)C1CC(C)(C)NC2(CC2)C1.
What is the InChIKey of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
The InChIKey is NTNGFCRFWHWNPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30FN7O/c1-26(2)12-19(13-27(33-26)7-8-27)35(4)23-6-5-21(30-31-23)25-22(36)11-17(14-29-25)16-9-18-15-34(3)32-24(18)20(28)10-16/h5-6,9-11,14-15,19,33,36H,7-8,12-13H2,1-4H3.
What are the key properties of 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol?
2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol has a molecular weight of 487.58 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(5,5-dimethyl-4-azaspiro[2.5]octan-7-yl)-methylamino]pyridazin-3-yl]-5-(7-fluoro-2-methylindazol-5-yl)pyridin-3-ol is sourced from PubChem (CID 155287181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).