methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate

C20H21N3O5 — CID 108774860

IUPACmethyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)nn1
InChIInChI=1S/C20H21N3O5/c1-26-13-3-4-14-16(24)12-20(28-17(14)11-13)7-9-23(10-8-20)18-6-5-15(21-22-18)19(25)27-2/h3-6,11H,7-10,12H2,1-2H3
InChIKeyDFAHADBYNLSYQQ-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.28
Rot. Bonds3

About methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate

methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate (PubChem CID 108774860) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
PubChem CID108774860
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Namemethyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
SMILESCOC(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)nn1
InChIInChI=1S/C20H21N3O5/c1-26-13-3-4-14-16(24)12-20(28-17(14)11-13)7-9-23(10-8-20)18-6-5-15(21-22-18)19(25)27-2/h3-6,11H,7-10,12H2,1-2H3
InChIKeyDFAHADBYNLSYQQ-UHFFFAOYSA-N
XLogP2.28
TPSA90.85 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

methyl 6-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108774813
7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774888
methyl 6-(7,8-dimethoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108776393
6-methoxy-1'-(6-methylpyridazin-3-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774848
7-methoxy-1'-[2-methyl-6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774871
1'-(2-chloro-6-methylpyrimidin-4-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774874
1'-(2-chloroacetyl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735805
1'-butanoyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735814
prop-2-enyl 7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-carboxylate
CID 108735806
7-methoxyspiro[3H-chromene-2,1'-cyclooctane]-4-one
CID 114672429
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
methyl 5-(4-oxospiro[3H-chromene-2,4'-azepane]-1'-yl)pyrazine-2-carboxylate
CID 165417364

Frequently Asked Questions

What is the IUPAC name of methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate?
The IUPAC name of methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate (CID 108774860) is methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate.
What is the SMILES notation for methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate?
The canonical SMILES for methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate is COC(=O)c1ccc(N2CCC3(CC2)CC(=O)c2ccc(OC)cc2O3)nn1.
What is the InChIKey of methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate?
The InChIKey is DFAHADBYNLSYQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-26-13-3-4-14-16(24)12-20(28-17(14)11-13)7-9-23(10-8-20)18-6-5-15(21-22-18)19(25)27-2/h3-6,11H,7-10,12H2,1-2H3.
What are the key properties of methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate?
methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate has a molecular weight of 383.40 g/mol, XLogP of 2.28, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate is sourced from PubChem (CID 108774860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).