6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one

C23H24N4O3 — CID 170630146

IUPAC6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(-c3cc4c(nn3)N(C3CCNC5(CC5)C3)CC4)cc12
InChIInChI=1S/C23H24N4O3/c1-13-8-21(29)30-20-11-19(28)17(10-16(13)20)18-9-14-3-7-27(22(14)26-25-18)15-2-6-24-23(12-15)4-5-23/h8-11,15,24,28H,2-7,12H2,1H3
InChIKeyXFODYKPXNKLONX-UHFFFAOYSA-N
MW404.47 g/mol
LogP2.91
Rot. Bonds2

About 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one

6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one (PubChem CID 170630146) has the molecular formula C23H24N4O3 and a molecular weight of 404.47 g/mol. Its IUPAC name is 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one.

Molecular Properties

Compound Name6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one
PubChem CID170630146
Molecular FormulaC23H24N4O3
Molecular Weight404.47 g/mol
Exact Mass404.18
IUPAC Name6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one
SMILESCc1cc(=O)oc2cc(O)c(-c3cc4c(nn3)N(C3CCNC5(CC5)C3)CC4)cc12
InChIInChI=1S/C23H24N4O3/c1-13-8-21(29)30-20-11-19(28)17(10-16(13)20)18-9-14-3-7-27(22(14)26-25-18)15-2-6-24-23(12-15)4-5-23/h8-11,15,24,28H,2-7,12H2,1H3
InChIKeyXFODYKPXNKLONX-UHFFFAOYSA-N
XLogP2.91
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.47
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one?
The IUPAC name of 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one (CID 170630146) is 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one.
What is the SMILES notation for 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one?
The canonical SMILES for 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one is Cc1cc(=O)oc2cc(O)c(-c3cc4c(nn3)N(C3CCNC5(CC5)C3)CC4)cc12.
What is the InChIKey of 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one?
The InChIKey is XFODYKPXNKLONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O3/c1-13-8-21(29)30-20-11-19(28)17(10-16(13)20)18-9-14-3-7-27(22(14)26-25-18)15-2-6-24-23(12-15)4-5-23/h8-11,15,24,28H,2-7,12H2,1H3.
What are the key properties of 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one?
6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one has a molecular weight of 404.47 g/mol, XLogP of 2.91, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[7-(4-azaspiro[2.5]octan-7-yl)-5,6-dihydropyrrolo[2,3-c]pyridazin-3-yl]-7-hydroxy-4-methylchromen-2-one is sourced from PubChem (CID 170630146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).