6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one

C22H25N5O4 — CID 20919658

IUPAC6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C22H25N5O4/c1-15-19-16(2)27(17-6-4-3-5-7-17)24-20(19)21(29)26(23-15)14-18(28)25-10-8-22(9-11-25)30-12-13-31-22/h3-7H,8-14H2,1-2H3
InChIKeyKZEKZNDLHTYNET-UHFFFAOYSA-N
MW423.47 g/mol
LogP1.56
Rot. Bonds3

About 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one

6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one (PubChem CID 20919658) has the molecular formula C22H25N5O4 and a molecular weight of 423.47 g/mol. Its IUPAC name is 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one.

Molecular Properties

Compound Name6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
PubChem CID20919658
Molecular FormulaC22H25N5O4
Molecular Weight423.47 g/mol
Exact Mass423.19
IUPAC Name6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
SMILESCc1nn(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2nn(-c3ccccc3)c(C)c12
InChIInChI=1S/C22H25N5O4/c1-15-19-16(2)27(17-6-4-3-5-7-17)24-20(19)21(29)26(23-15)14-18(28)25-10-8-22(9-11-25)30-12-13-31-22/h3-7H,8-14H2,1-2H3
InChIKeyKZEKZNDLHTYNET-UHFFFAOYSA-N
XLogP1.56
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 51.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3,4-dimethyl-6-(2-morpholin-4-yl-2-oxoethyl)-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 20919653
6-[2-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one
CID 42644421
3-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)propan-1-one
CID 43057713
6-[1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxobutan-2-yl]-3,4-dimethyl-2-(4-methylphenyl)pyrazolo[3,4-d]pyridazin-7-one
CID 20919882
5-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-2-ethyl-7-methyl-[1,3]thiazolo[4,5-d]pyridazin-4-one
CID 71840164
ethyl 1-[2-(3,7-dimethyl-4-oxo-2-phenylpyrazolo[3,4-d]pyridazin-5-yl)acetyl]piperidine-4-carboxylate
CID 53090714
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 20919610
[1-(3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-yl)piperidin-3-yl]-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methanone
CID 20920543
6-[3-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-3-oxopropyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one
CID 71686512
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-[(2R)-4-phenylbutan-2-yl]acetamide
CID 92505482
2-(3,4-dimethyl-7-oxo-2-phenylpyrazolo[3,4-d]pyridazin-6-yl)-N-(4-ethoxyphenyl)acetamide
CID 20919585
2-[1-(4-chlorophenyl)-3,5-dimethylpyrazol-4-yl]-1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)ethanone
CID 60507539

Frequently Asked Questions

What is the IUPAC name of 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The IUPAC name of 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one (CID 20919658) is 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one.
What is the SMILES notation for 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The canonical SMILES for 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one is Cc1nn(CC(=O)N2CCC3(CC2)OCCO3)c(=O)c2nn(-c3ccccc3)c(C)c12.
What is the InChIKey of 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
The InChIKey is KZEKZNDLHTYNET-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O4/c1-15-19-16(2)27(17-6-4-3-5-7-17)24-20(19)21(29)26(23-15)14-18(28)25-10-8-22(9-11-25)30-12-13-31-22/h3-7H,8-14H2,1-2H3.
What are the key properties of 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one?
6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one has a molecular weight of 423.47 g/mol, XLogP of 1.56, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-oxoethyl]-3,4-dimethyl-2-phenylpyrazolo[3,4-d]pyridazin-7-one is sourced from PubChem (CID 20919658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).