2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione

C27H19ClN4O3 — CID 108750167

IUPAC2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione
SMILESO=C(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C27H19ClN4O3/c28-18-9-5-16(6-10-18)24-22-15-31(14-13-23(22)29-30-24)25(33)17-7-11-19(12-8-17)32-26(34)20-3-1-2-4-21(20)27(32)35/h1-12H,13-15H2,(H,29,30)
InChIKeyWZDWBMYTPHWIKS-UHFFFAOYSA-N
MW482.93 g/mol
LogP4.73
Rot. Bonds3

About 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione

2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione (PubChem CID 108750167) has the molecular formula C27H19ClN4O3 and a molecular weight of 482.93 g/mol. Its IUPAC name is 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione
PubChem CID108750167
Molecular FormulaC27H19ClN4O3
Molecular Weight482.93 g/mol
Exact Mass482.11
IUPAC Name2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione
SMILESO=C(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1
InChIInChI=1S/C27H19ClN4O3/c28-18-9-5-16(6-10-18)24-22-15-31(14-13-23(22)29-30-24)25(33)17-7-11-19(12-8-17)32-26(34)20-3-1-2-4-21(20)27(32)35/h1-12H,13-15H2,(H,29,30)
InChIKeyWZDWBMYTPHWIKS-UHFFFAOYSA-N
XLogP4.73
TPSA86.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.93
LogP ≤ 54.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2-chlorophenyl)-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750151
2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-4-oxobutyl]isoindole-1,3-dione
CID 108750173
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-fluorophenyl)methanone
CID 108726007
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-phenoxyphenyl)methanone
CID 108725948
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2-methoxyphenyl)methanone
CID 108750131
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(2,6-dimethoxyphenyl)methanone
CID 108750140
2-[4-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)phenyl]isoindole-1,3-dione
CID 168519342
[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(3-methyl-1-benzofuran-2-yl)methanone
CID 108811391
1-[4-[3-(2-fluorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]ethanone
CID 42455062
N-(4-chlorophenyl)-3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carboxamide
CID 121442894
(3-chlorophenyl)-[3-(3-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]methanone
CID 108750013
1-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-2-naphthalen-1-ylethanone
CID 108726086

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione?
The IUPAC name of 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione (CID 108750167) is 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione?
The canonical SMILES for 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione is O=C(c1ccc(N2C(=O)c3ccccc3C2=O)cc1)N1CCc2[nH]nc(-c3ccc(Cl)cc3)c2C1.
What is the InChIKey of 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione?
The InChIKey is WZDWBMYTPHWIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19ClN4O3/c28-18-9-5-16(6-10-18)24-22-15-31(14-13-23(22)29-30-24)25(33)17-7-11-19(12-8-17)32-26(34)20-3-1-2-4-21(20)27(32)35/h1-12H,13-15H2,(H,29,30).
What are the key properties of 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione?
2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione has a molecular weight of 482.93 g/mol, XLogP of 4.73, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-chlorophenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridine-5-carbonyl]phenyl]isoindole-1,3-dione is sourced from PubChem (CID 108750167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).