6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]

C19H25N3O2 — CID 163306429

IUPAC6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1ccc2c(c1)CCOC21CCN(Cc2ccnn2C)CC1
InChIInChI=1S/C19H25N3O2/c1-21-16(5-9-20-21)14-22-10-7-19(8-11-22)18-4-3-17(23-2)13-15(18)6-12-24-19/h3-5,9,13H,6-8,10-12,14H2,1-2H3
InChIKeySGARJQASNXMPJZ-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.49
Rot. Bonds3

About 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]

6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] (PubChem CID 163306429) has the molecular formula C19H25N3O2 and a molecular weight of 327.43 g/mol. Its IUPAC name is 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine].

Molecular Properties

Compound Name6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
PubChem CID163306429
Molecular FormulaC19H25N3O2
Molecular Weight327.43 g/mol
Exact Mass327.19
IUPAC Name6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]
SMILESCOc1ccc2c(c1)CCOC21CCN(Cc2ccnn2C)CC1
InChIInChI=1S/C19H25N3O2/c1-21-16(5-9-20-21)14-22-10-7-19(8-11-22)18-4-3-17(23-2)13-15(18)6-12-24-19/h3-5,9,13H,6-8,10-12,14H2,1-2H3
InChIKeySGARJQASNXMPJZ-UHFFFAOYSA-N
XLogP2.49
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methyl]-2-methyl-1H-pyrimidin-6-one
CID 163313269
6-methoxy-1'-(3-methyl-2-pyridinyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 135103863
1'-(4,5-dimethylpyridazin-3-yl)-6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 164692142
6-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)pyridine-2-carbonitrile
CID 135114998
1'-[(2,3-dimethylimidazol-4-yl)methyl]-6,7-dimethoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163312225
cyclopentyl-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135117415
3-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)sulfonylbenzonitrile
CID 135087212
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(oxolan-3-yl)methanone
CID 135104833
6-methoxy-1'-[4-(methoxymethyl)piperidin-1-yl]sulfonylspiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 163312867
6-[(1-ethylpyrazol-4-yl)methoxy]-1'-(1H-imidazol-2-ylmethyl)spiro[3,4-dihydroisochromene-1,4'-piperidine]
CID 146046857
[1-(2-methoxyethyl)pyrrolidin-3-yl]-(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)methanone
CID 135112535
(6-methoxyspiro[3,4-dihydroisochromene-1,4'-piperidine]-1'-yl)-(3-pyrazol-1-ylphenyl)methanone
CID 164689622

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The IUPAC name of 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] (CID 163306429) is 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine].
What is the SMILES notation for 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The canonical SMILES for 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] is COc1ccc2c(c1)CCOC21CCN(Cc2ccnn2C)CC1.
What is the InChIKey of 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
The InChIKey is SGARJQASNXMPJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2/c1-21-16(5-9-20-21)14-22-10-7-19(8-11-22)18-4-3-17(23-2)13-15(18)6-12-24-19/h3-5,9,13H,6-8,10-12,14H2,1-2H3.
What are the key properties of 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine]?
6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] has a molecular weight of 327.43 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-1'-[(2-methylpyrazol-3-yl)methyl]spiro[3,4-dihydroisochromene-1,4'-piperidine] is sourced from PubChem (CID 163306429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).