6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one

C17H13ClN4O — CID 142510634

IUPAC6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one
SMILESCn1cc(-c2ccc(Cl)nc2-c2ccc3c(c2)C(=O)NC3)cn1
InChIInChI=1S/C17H13ClN4O/c1-22-9-12(8-20-22)13-4-5-15(18)21-16(13)10-2-3-11-7-19-17(23)14(11)6-10/h2-6,8-9H,7H2,1H3,(H,19,23)
InChIKeyIVWLJEYPADOFLZ-UHFFFAOYSA-N
MW324.77 g/mol
LogP3.05
Rot. Bonds2

About 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one

6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one (PubChem CID 142510634) has the molecular formula C17H13ClN4O and a molecular weight of 324.77 g/mol. Its IUPAC name is 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one
PubChem CID142510634
Molecular FormulaC17H13ClN4O
Molecular Weight324.77 g/mol
Exact Mass324.08
IUPAC Name6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one
SMILESCn1cc(-c2ccc(Cl)nc2-c2ccc3c(c2)C(=O)NC3)cn1
InChIInChI=1S/C17H13ClN4O/c1-22-9-12(8-20-22)13-4-5-15(18)21-16(13)10-2-3-11-7-19-17(23)14(11)6-10/h2-6,8-9H,7H2,1H3,(H,19,23)
InChIKeyIVWLJEYPADOFLZ-UHFFFAOYSA-N
XLogP3.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.77
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

6-[6-chloro-3-[1-(cyclopentylmethyl)pyrazol-4-yl]-2-pyridinyl]-2-methyl-3H-isoindol-1-one
CID 129282235
5-[1-(cyclopentylmethyl)pyrazol-4-yl]-6-(3-oxo-1,2-dihydroisoindol-5-yl)pyridine-2-carbonitrile
CID 129285786
methyl 2-(bromomethyl)-5-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]benzoate
CID 142510619
6-(2-ethyl-5-methyl-1H-imidazol-4-yl)-2,3-dihydroisoindol-1-one
CID 67124991
6-[3-[1-(3-fluoro-3-methylbutyl)pyrazol-4-yl]-6-methyl-2-pyridinyl]-2-methyl-3-[1-[[4-[6-methyl-2-(3-oxo-1,2-dihydroisoindol-5-yl)-3-pyridinyl]pyrazol-1-yl]methyl]-2-bicyclo[1.1.1]pentanyl]-3H-isoindol-1-one
CID 137392241
5-chloro-6-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-indole
CID 121365355
2-chloro-6-[[2,6-difluoro-4-(1-methylpyrazol-4-yl)phenyl]methyl]-5H-pyrrolo[3,4-b]pyridin-7-one
CID 122648622
6-(2,4-difluorophenyl)-5-(1-ethylpyrazol-4-yl)-2,3-dihydroisoindol-1-one
CID 171097851
9-chloro-4-(1-methylpyrazol-4-yl)-2H-benzo[h]isoquinolin-1-one
CID 15983766
5-chloro-1,3-dimethyl-N-(3-oxo-1,2-dihydroisoindol-5-yl)pyrazole-4-sulfonamide
CID 86870290
5'-(1-methylpyrazol-4-yl)spiro[1,3-dioxolane-2,3'-2H-indene]-1'-one
CID 146205456
2-chloro-4-(1-methylpyrazol-4-yl)quinoline
CID 171561069

Frequently Asked Questions

What is the IUPAC name of 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one (CID 142510634) is 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one is Cn1cc(-c2ccc(Cl)nc2-c2ccc3c(c2)C(=O)NC3)cn1.
What is the InChIKey of 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one?
The InChIKey is IVWLJEYPADOFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13ClN4O/c1-22-9-12(8-20-22)13-4-5-15(18)21-16(13)10-2-3-11-7-19-17(23)14(11)6-10/h2-6,8-9H,7H2,1H3,(H,19,23).
What are the key properties of 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one?
6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one has a molecular weight of 324.77 g/mol, XLogP of 3.05, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-chloro-3-(1-methylpyrazol-4-yl)-2-pyridinyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 142510634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).