2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione

C20H22N4O3 — CID 108755633

IUPAC2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC(C)(C)n1ncc2c1CCN(C(=O)CN1C(=O)c3ccccc3C1=O)C2
InChIInChI=1S/C20H22N4O3/c1-20(2,3)24-16-8-9-22(11-13(16)10-21-24)17(25)12-23-18(26)14-6-4-5-7-15(14)19(23)27/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyJFXZHKXCWJTDKK-UHFFFAOYSA-N
MW366.42 g/mol
LogP1.82
Rot. Bonds2

About 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione

2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione (PubChem CID 108755633) has the molecular formula C20H22N4O3 and a molecular weight of 366.42 g/mol. Its IUPAC name is 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
PubChem CID108755633
Molecular FormulaC20H22N4O3
Molecular Weight366.42 g/mol
Exact Mass366.17
IUPAC Name2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
SMILESCC(C)(C)n1ncc2c1CCN(C(=O)CN1C(=O)c3ccccc3C1=O)C2
InChIInChI=1S/C20H22N4O3/c1-20(2,3)24-16-8-9-22(11-13(16)10-21-24)17(25)12-23-18(26)14-6-4-5-7-15(14)19(23)27/h4-7,10H,8-9,11-12H2,1-3H3
InChIKeyJFXZHKXCWJTDKK-UHFFFAOYSA-N
XLogP1.82
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.42
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)propan-1-one
CID 108732236
1-tert-butyl-N-phenyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carboxamide
CID 108781376
2-[2-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione
CID 110872640
5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione
CID 108732162
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2,2,2-trichloroethanone
CID 108732144
4-tert-butyl-N-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]benzamide
CID 108755611
2-[2-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]isoindole-1,3-dione
CID 18776691
1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-3-[butyl(methyl)amino]propan-1-one
CID 108732222
2-[2-[4-[(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)sulfonyl]phenyl]ethyl]isoindole-1,3-dione
CID 108781359
5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione
CID 108755616
2-bromo-1-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)butan-1-one
CID 108732170
(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-(4-pyrrol-1-ylphenyl)methanone
CID 108732113

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione (CID 108755633) is 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione is CC(C)(C)n1ncc2c1CCN(C(=O)CN1C(=O)c3ccccc3C1=O)C2.
What is the InChIKey of 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione?
The InChIKey is JFXZHKXCWJTDKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O3/c1-20(2,3)24-16-8-9-22(11-13(16)10-21-24)17(25)12-23-18(26)14-6-4-5-7-15(14)19(23)27/h4-7,10H,8-9,11-12H2,1-3H3.
What are the key properties of 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione?
2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione has a molecular weight of 366.42 g/mol, XLogP of 1.82, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridin-5-yl)-2-oxoethyl]isoindole-1,3-dione is sourced from PubChem (CID 108755633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).