5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

C19H24N4O3 — CID 134333595

IUPAC5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCOCCCn1c(C)c2c(=O)n(-c3cccc(NC)c3)[nH]c2cc1=O
InChIInChI=1S/C19H24N4O3/c1-4-26-10-6-9-22-13(2)18-16(12-17(22)24)21-23(19(18)25)15-8-5-7-14(11-15)20-3/h5,7-8,11-12,20-21H,4,6,9-10H2,1-3H3
InChIKeyILHZPACMBZJTKQ-UHFFFAOYSA-N
MW356.43 g/mol
LogP2.26
Rot. Bonds7

About 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione

5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (PubChem CID 134333595) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.

Molecular Properties

Compound Name5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
PubChem CID134333595
Molecular FormulaC19H24N4O3
Molecular Weight356.43 g/mol
Exact Mass356.18
IUPAC Name5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione
SMILESCCOCCCn1c(C)c2c(=O)n(-c3cccc(NC)c3)[nH]c2cc1=O
InChIInChI=1S/C19H24N4O3/c1-4-26-10-6-9-22-13(2)18-16(12-17(22)24)21-23(19(18)25)15-8-5-7-14(11-15)20-3/h5,7-8,11-12,20-21H,4,6,9-10H2,1-3H3
InChIKeyILHZPACMBZJTKQ-UHFFFAOYSA-N
XLogP2.26
TPSA81.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.43
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_65_B(7)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The IUPAC name of 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione (CID 134333595) is 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione.
What is the SMILES notation for 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The canonical SMILES for 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is CCOCCCn1c(C)c2c(=O)n(-c3cccc(NC)c3)[nH]c2cc1=O.
What is the InChIKey of 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
The InChIKey is ILHZPACMBZJTKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-4-26-10-6-9-22-13(2)18-16(12-17(22)24)21-23(19(18)25)15-8-5-7-14(11-15)20-3/h5,7-8,11-12,20-21H,4,6,9-10H2,1-3H3.
What are the key properties of 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione?
5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione has a molecular weight of 356.43 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethoxypropyl)-4-methyl-2-[3-(methylamino)phenyl]-1H-pyrazolo[4,3-c]pyridine-3,6-dione is sourced from PubChem (CID 134333595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).