1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone

C9H12IN3O — CID 170243984

IUPAC1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2c(C)nn(I)c2C1
InChIInChI=1S/C9H12IN3O/c1-6-8-3-4-12(7(2)14)5-9(8)13(10)11-6/h3-5H2,1-2H3
InChIKeyHJILKZOMRLOWBJ-UHFFFAOYSA-N
MW305.12 g/mol
LogP1.29
Rot. Bonds

About 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone

1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone (PubChem CID 170243984) has the molecular formula C9H12IN3O and a molecular weight of 305.12 g/mol. Its IUPAC name is 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone.

Molecular Properties

Compound Name1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone
PubChem CID170243984
Molecular FormulaC9H12IN3O
Molecular Weight305.12 g/mol
Exact Mass305.00
IUPAC Name1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone
SMILESCC(=O)N1CCc2c(C)nn(I)c2C1
InChIInChI=1S/C9H12IN3O/c1-6-8-3-4-12(7(2)14)5-9(8)13(10)11-6/h3-5H2,1-2H3
InChIKeyHJILKZOMRLOWBJ-UHFFFAOYSA-N
XLogP1.29
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.12
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

1-(5-amino-6-methyl-3,4-dihydro-1H-isoquinolin-2-yl)ethanone
CID 115023573
N-(2-acetyl-3,4-dihydro-1H-isoquinolin-5-yl)acetamide
CID 10082667
1-[3-methyl-1-(oxolan-3-yl)-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 145091366
2-(5-acetyl-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-1-yl)benzoic acid
CID 82588802
1-(4,5-dimethyl-3,6-dihydro-2H-pyridin-1-yl)ethanone;ethane
CID 177140878
1-(4-cyclopropylidenepiperidin-1-yl)ethanone
CID 121184138
(3,4-dichlorophenyl)-(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)methanone
CID 84580795
1-(1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)ethanone
CID 129182181
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-pyridin-2-ylmethanone
CID 84582242
ethane;1-[1-(2-hydroxyspiro[3.5]nonan-7-yl)-3-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl]ethanone
CID 176986597
6-acetyl-1,4,5,7-tetrahydropyrazolo[5,4-c]pyridine-3-carboxylic acid
CID 110447010
(1,3-dimethyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)-(2,3,4-trifluorophenyl)methanone
CID 84582225

Frequently Asked Questions

What is the IUPAC name of 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone?
The IUPAC name of 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone (CID 170243984) is 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone.
What is the SMILES notation for 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone?
The canonical SMILES for 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone is CC(=O)N1CCc2c(C)nn(I)c2C1.
What is the InChIKey of 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone?
The InChIKey is HJILKZOMRLOWBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12IN3O/c1-6-8-3-4-12(7(2)14)5-9(8)13(10)11-6/h3-5H2,1-2H3.
What are the key properties of 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone?
1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone has a molecular weight of 305.12 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-iodo-3-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl)ethanone is sourced from PubChem (CID 170243984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).