7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one

C25H25N3O3 — CID 108774888

IUPAC7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(c3ccc(-c4ccc(C)cc4)nn3)CC1)CC2=O
InChIInChI=1S/C25H25N3O3/c1-17-3-5-18(6-4-17)21-9-10-24(27-26-21)28-13-11-25(12-14-28)16-22(29)20-8-7-19(30-2)15-23(20)31-25/h3-10,15H,11-14,16H2,1-2H3
InChIKeyLBEHSTLFXSCULE-UHFFFAOYSA-N
MW415.49 g/mol
LogP4.47
Rot. Bonds3

About 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one

7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108774888) has the molecular formula C25H25N3O3 and a molecular weight of 415.49 g/mol. Its IUPAC name is 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108774888
Molecular FormulaC25H25N3O3
Molecular Weight415.49 g/mol
Exact Mass415.19
IUPAC Name7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
SMILESCOc1ccc2c(c1)OC1(CCN(c3ccc(-c4ccc(C)cc4)nn3)CC1)CC2=O
InChIInChI=1S/C25H25N3O3/c1-17-3-5-18(6-4-17)21-9-10-24(27-26-21)28-13-11-25(12-14-28)16-22(29)20-8-7-19(30-2)15-23(20)31-25/h3-10,15H,11-14,16H2,1-2H3
InChIKeyLBEHSTLFXSCULE-UHFFFAOYSA-N
XLogP4.47
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-chloro-1'-[6-(4-methoxyphenyl)pyridazin-3-yl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774758
methyl 6-(7-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108774860
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
7-methoxy-1'-[(4-methylphenyl)methyl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 44770657
6-chloro-5,7-dimethyl-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774755
1'-[6-(4-fluorophenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774352
6-methoxy-1'-[2-methyl-6-(4-methylphenyl)pyrimidin-4-yl]spiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108778692
1'-[6-(4-fluorophenyl)pyridazin-3-yl]-5,7-dimethylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108776343
1'-ethylsulfonyl-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 100759723
methyl 6-(6-methoxy-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)pyridazine-3-carboxylate
CID 108774813

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one (CID 108774888) is 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one is COc1ccc2c(c1)OC1(CCN(c3ccc(-c4ccc(C)cc4)nn3)CC1)CC2=O.
What is the InChIKey of 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is LBEHSTLFXSCULE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3/c1-17-3-5-18(6-4-17)21-9-10-24(27-26-21)28-13-11-25(12-14-28)16-22(29)20-8-7-19(30-2)15-23(20)31-25/h3-10,15H,11-14,16H2,1-2H3.
What are the key properties of 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one?
7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 415.49 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-1'-[6-(4-methylphenyl)pyridazin-3-yl]spiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108774888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).