5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione

C22H26N4O3 — CID 108755616

IUPAC5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione
SMILESCC(C)N1C(=O)c2ccc(C(=O)N3CCc4c(cnn4C(C)(C)C)C3)cc2C1=O
InChIInChI=1S/C22H26N4O3/c1-13(2)25-20(28)16-7-6-14(10-17(16)21(25)29)19(27)24-9-8-18-15(12-24)11-23-26(18)22(3,4)5/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyNOHPBVQWDRRFNY-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.84
Rot. Bonds2

About 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione

5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione (PubChem CID 108755616) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione.

Molecular Properties

Compound Name5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione
PubChem CID108755616
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione
SMILESCC(C)N1C(=O)c2ccc(C(=O)N3CCc4c(cnn4C(C)(C)C)C3)cc2C1=O
InChIInChI=1S/C22H26N4O3/c1-13(2)25-20(28)16-7-6-14(10-17(16)21(25)29)19(27)24-9-8-18-15(12-24)11-23-26(18)22(3,4)5/h6-7,10-11,13H,8-9,12H2,1-5H3
InChIKeyNOHPBVQWDRRFNY-UHFFFAOYSA-N
XLogP2.84
TPSA75.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione?
The IUPAC name of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione (CID 108755616) is 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione.
What is the SMILES notation for 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione?
The canonical SMILES for 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione is CC(C)N1C(=O)c2ccc(C(=O)N3CCc4c(cnn4C(C)(C)C)C3)cc2C1=O.
What is the InChIKey of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione?
The InChIKey is NOHPBVQWDRRFNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-13(2)25-20(28)16-7-6-14(10-17(16)21(25)29)19(27)24-9-8-18-15(12-24)11-23-26(18)22(3,4)5/h6-7,10-11,13H,8-9,12H2,1-5H3.
What are the key properties of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione?
5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione has a molecular weight of 394.48 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-propan-2-ylisoindole-1,3-dione is sourced from PubChem (CID 108755616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).