3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

C25H24FN5O4 — CID 175959489

IUPAC3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(F)c1-n1nc2c(-c3ccc(N4CCC5(CC4)OCCO5)cc3)n[nH]c2cc1=O
InChIInChI=1S/C25H24FN5O4/c1-33-20-4-2-3-18(26)24(20)31-21(32)15-19-23(29-31)22(28-27-19)16-5-7-17(8-6-16)30-11-9-25(10-12-30)34-13-14-35-25/h2-8,15,27H,9-14H2,1H3
InChIKeyQUDIQXTYQVQSIS-UHFFFAOYSA-N
MW477.50 g/mol
LogP3.27
Rot. Bonds4

About 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one

3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (PubChem CID 175959489) has the molecular formula C25H24FN5O4 and a molecular weight of 477.50 g/mol. Its IUPAC name is 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.

Molecular Properties

Compound Name3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
PubChem CID175959489
Molecular FormulaC25H24FN5O4
Molecular Weight477.50 g/mol
Exact Mass477.18
IUPAC Name3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one
SMILESCOc1cccc(F)c1-n1nc2c(-c3ccc(N4CCC5(CC4)OCCO5)cc3)n[nH]c2cc1=O
InChIInChI=1S/C25H24FN5O4/c1-33-20-4-2-3-18(26)24(20)31-21(32)15-19-23(29-31)22(28-27-19)16-5-7-17(8-6-16)30-11-9-25(10-12-30)34-13-14-35-25/h2-8,15,27H,9-14H2,1H3
InChIKeyQUDIQXTYQVQSIS-UHFFFAOYSA-N
XLogP3.27
TPSA94.50 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.50
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The IUPAC name of 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one (CID 175959489) is 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one.
What is the SMILES notation for 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The canonical SMILES for 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is COc1cccc(F)c1-n1nc2c(-c3ccc(N4CCC5(CC4)OCCO5)cc3)n[nH]c2cc1=O.
What is the InChIKey of 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
The InChIKey is QUDIQXTYQVQSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN5O4/c1-33-20-4-2-3-18(26)24(20)31-21(32)15-19-23(29-31)22(28-27-19)16-5-7-17(8-6-16)30-11-9-25(10-12-30)34-13-14-35-25/h2-8,15,27H,9-14H2,1H3.
What are the key properties of 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one?
3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one has a molecular weight of 477.50 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)phenyl]-5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[4,3-c]pyridazin-6-one is sourced from PubChem (CID 175959489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).