5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

C24H25FN4O2 — CID 135802758

IUPAC5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOCCCNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C24H25FN4O2/c1-2-31-13-7-12-26-16-18-15-21-22(17-8-6-9-19(25)14-17)28-29(23(21)27-24(18)30)20-10-4-3-5-11-20/h3-6,8-11,14-15,26H,2,7,12-13,16H2,1H3,(H,27,30)
InChIKeyQQYOZZLRBBYQDS-UHFFFAOYSA-N
MW420.49 g/mol
LogP4.04
Rot. Bonds9

About 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one

5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135802758) has the molecular formula C24H25FN4O2 and a molecular weight of 420.49 g/mol. Its IUPAC name is 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135802758
Molecular FormulaC24H25FN4O2
Molecular Weight420.49 g/mol
Exact Mass420.20
IUPAC Name5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOCCCNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O
InChIInChI=1S/C24H25FN4O2/c1-2-31-13-7-12-26-16-18-15-21-22(17-8-6-9-19(25)14-17)28-29(23(21)27-24(18)30)20-10-4-3-5-11-20/h3-6,8-11,14-15,26H,2,7,12-13,16H2,1H3,(H,27,30)
InChIKeyQQYOZZLRBBYQDS-UHFFFAOYSA-N
XLogP4.04
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.49
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-[(6R)-2-(4-fluorophenyl)-6-hydroxy-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135975103
AS1940477
CID 136173253
6-[2-(4-Fluorophenyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226812
n-(1,3-Diphenyl-1h-pyrazol-5-yl)-4-fluorobenzamide
CID 11164167
Difenamizole
CID 65695
5-(Benzylamino-methyl)-1-phenyl-3-p-tolyl-1,7-dihydro-pyrazolo[3,4-b]pyridin-6-one
CID 135418010
6-[(6S)-2-(4-fluorophenyl)-6-(hydroxymethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 136226813
3-tert-Butyl-6-oxo-1-phenyl-6,7-dihydro-1H-pyrazolo[3,4-b]pyridine-5-carbaldehyde
CID 135495848
N-(2,5-Diphenyl-2H-pyrazol-3-yl)-3-fluoro-benzamide
CID 11451163
6-[3-(4-Fluorophenyl)-5-(3-hydroxypropylamino)-1-methylpyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 51031046
6-[3-(4-Fluorophenyl)-1-methyl-5-(methylamino)pyrazol-4-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 69575038
6-[6-(4-fluorophenyl)-2,3-dihydro-1H-imidazo[2,1-e]pyrazol-7-yl]-2-(2-methylphenyl)pyridazin-3-one
CID 135975090

Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135802758) is 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCOCCCNCc1cc2c(-c3cccc(F)c3)nn(-c3ccccc3)c2[nH]c1=O.
What is the InChIKey of 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is QQYOZZLRBBYQDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN4O2/c1-2-31-13-7-12-26-16-18-15-21-22(17-8-6-9-19(25)14-17)28-29(23(21)27-24(18)30)20-10-4-3-5-11-20/h3-6,8-11,14-15,26H,2,7,12-13,16H2,1H3,(H,27,30).
What are the key properties of 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 420.49 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxypropylamino)methyl]-3-(3-fluorophenyl)-1-phenyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135802758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).