3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone

C24H32N4O — CID 126463989

IUPAC3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCC(CCn1cccn1)N1CCC2(CC1)CC2C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C24H32N4O/c1-19(7-14-28-12-4-11-25-28)26-15-9-24(10-16-26)17-22(24)23(29)27-13-8-20-5-2-3-6-21(20)18-27/h2-6,11-12,19,22H,7-10,13-18H2,1H3
InChIKeyGLPQXYWSIJMCCA-UHFFFAOYSA-N
MW392.55 g/mol
LogP3.35
Rot. Bonds5

About 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone

3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone (PubChem CID 126463989) has the molecular formula C24H32N4O and a molecular weight of 392.55 g/mol. Its IUPAC name is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone.

Molecular Properties

Compound Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone
PubChem CID126463989
Molecular FormulaC24H32N4O
Molecular Weight392.55 g/mol
Exact Mass392.26
IUPAC Name3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone
SMILESCC(CCn1cccn1)N1CCC2(CC1)CC2C(=O)N1CCc2ccccc2C1
InChIInChI=1S/C24H32N4O/c1-19(7-14-28-12-4-11-25-28)26-15-9-24(10-16-26)17-22(24)23(29)27-13-8-20-5-2-3-6-21(20)18-27/h2-6,11-12,19,22H,7-10,13-18H2,1H3
InChIKeyGLPQXYWSIJMCCA-UHFFFAOYSA-N
XLogP3.35
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

N-[4-[[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-6-azaspiro[2.5]octan-6-yl]methyl]phenyl]acetamide
CID 45169695
N-[(2R)-4-pyrazol-1-ylbutan-2-yl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 126435475
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-imidazo[1,5-a]pyridin-3-ylsulfanylpropan-1-one
CID 42988656
N-[(2R)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379800
N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 129379799
3,4-dihydro-1H-isoquinolin-2-yl-[4-(3-methylbutyl)morpholin-2-yl]methanone
CID 172881377
N-ethyl-N'-(2-pyrazol-1-ylethyl)-3,4-dihydro-1H-isoquinoline-2-carboximidamide;hydroiodide
CID 110947645
3,4-dihydro-1H-isoquinolin-2-yl-[1-[1-(3-ethyl-1,2,4-oxadiazol-5-yl)ethyl]piperidin-4-yl]methanone
CID 47025103
(3-chloro-4-pyridinyl)-[4-(4-pyrazol-1-ylbutan-2-yl)-1,4-diazepan-1-yl]methanone
CID 138809791
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[(2S)-2-(pyrazol-1-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95344571
1-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)-4-pyrazol-1-ylbutan-1-one
CID 131896896
1-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 97088027

Frequently Asked Questions

What is the IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone?
The IUPAC name of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone (CID 126463989) is 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone.
What is the SMILES notation for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone?
The canonical SMILES for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone is CC(CCn1cccn1)N1CCC2(CC1)CC2C(=O)N1CCc2ccccc2C1.
What is the InChIKey of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone?
The InChIKey is GLPQXYWSIJMCCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N4O/c1-19(7-14-28-12-4-11-25-28)26-15-9-24(10-16-26)17-22(24)23(29)27-13-8-20-5-2-3-6-21(20)18-27/h2-6,11-12,19,22H,7-10,13-18H2,1H3.
What are the key properties of 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone?
3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone has a molecular weight of 392.55 g/mol, XLogP of 3.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dihydro-1H-isoquinolin-2-yl-[6-(4-pyrazol-1-ylbutan-2-yl)-6-azaspiro[2.5]octan-2-yl]methanone is sourced from PubChem (CID 126463989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).