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

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

5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione (PubChem CID 108732162) has the molecular formula C24H24N4O4 and a molecular weight of 432.48 g/mol. Its IUPAC name is 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione.

Molecular Properties

Compound Name	5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione
PubChem CID	108732162
Molecular Formula	C24H24N4O4
Molecular Weight	432.48 g/mol
Exact Mass	432.18
IUPAC Name	5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione
SMILES	CC(C)(C)n1ncc2c1CCN(C(=O)c1ccc3c(c1)C(=O)N(Cc1ccco1)C3=O)C2
InChI	InChI=1S/C24H24N4O4/c1-24(2,3)28-20-8-9-26(13-16(20)12-25-28)21(29)15-6-7-18-19(11-15)23(31)27(22(18)30)14-17-5-4-10-32-17/h4-7,10-12H,8-9,13-14H2,1-3H3
InChIKey	LGCUJIVAPWDDEX-UHFFFAOYSA-N
XLogP	3.23
TPSA	88.65 Å²
H-Bond Donors
H-Bond Acceptors	6
Rotatable Bonds	3
Heavy Atoms	32
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	3.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Related Compounds

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-(furan-2-ylmethyl)isoindole-1,3-dione?

The IUPAC name of 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) is 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-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-(furan-2-ylmethyl)isoindole-1,3-dione?

The canonical SMILES for 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione is CC(C)(C)n1ncc2c1CCN(C(=O)c1ccc3c(c1)C(=O)N(Cc1ccco1)C3=O)C2.

What is the InChIKey of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione?

The InChIKey is LGCUJIVAPWDDEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4/c1-24(2,3)28-20-8-9-26(13-16(20)12-25-28)21(29)15-6-7-18-19(11-15)23(31)27(22(18)30)14-17-5-4-10-32-17/h4-7,10-12H,8-9,13-14H2,1-3H3.

What are the key properties of 5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione?

5-(1-tert-butyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine-5-carbonyl)-2-(furan-2-ylmethyl)isoindole-1,3-dione has a molecular weight of 432.48 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 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-(furan-2-ylmethyl)isoindole-1,3-dione is sourced from PubChem (CID 108732162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).