1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

C20H25N3O2 — CID 164692142

IUPAC1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1ccc2c(c1)CCOC21CCN(c2nncc(C)c2C)CC1
InChIInChI=1S/C20H25N3O2/c1-14-13-21-22-19(15(14)2)23-9-7-20(8-10-23)18-5-4-17(24-3)12-16(18)6-11-25-20/h4-5,12-13H,6-11H2,1-3H3
InChIKeyPXKZJXDOIGPZTL-UHFFFAOYSA-N
MW339.44 g/mol
LogP3.17
Rot. Bonds2

About 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]

1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 164692142) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID164692142
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1ccc2c(c1)CCOC21CCN(c2nncc(C)c2C)CC1
InChIInChI=1S/C20H25N3O2/c1-14-13-21-22-19(15(14)2)23-9-7-20(8-10-23)18-5-4-17(24-3)12-16(18)6-11-25-20/h4-5,12-13H,6-11H2,1-3H3
InChIKeyPXKZJXDOIGPZTL-UHFFFAOYSA-N
XLogP3.17
TPSA47.48 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 135103863
6-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pyridine-2-carbonitrile
CID 135114998
cyclopentyl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135117415
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(2-methyl-1,3-thiazol-4-yl)methanone
CID 135105422
6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163306429
1-[5-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)thiophen-2-yl]ethanone
CID 135094281
1-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-2-(4-methylpyrazol-1-yl)propan-1-one
CID 135093120
4-[(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-2-methyl-1H-pyrimidin-6-one
CID 163313269
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(oxolan-3-yl)methanone
CID 135104833
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(2-methyl-1,3-benzothiazol-5-yl)methanone
CID 135096335
N-ethyl-4-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 163311616
cis-methyl (1R,3S)-3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-carbonyl)cyclopentane-1-carboxylate
CID 163310104

Frequently Asked Questions

What is the IUPAC name of 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 164692142) is 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] is COc1ccc2c(c1)CCOC21CCN(c2nncc(C)c2C)CC1.
What is the InChIKey of 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is PXKZJXDOIGPZTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-14-13-21-22-19(15(14)2)23-9-7-20(8-10-23)18-5-4-17(24-3)12-16(18)6-11-25-20/h4-5,12-13H,6-11H2,1-3H3.
What are the key properties of 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]?
1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 339.44 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 164692142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).