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

C19H23FN4O2 — CID 135802739

IUPAC5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOCCCNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O
InChIInChI=1S/C19H23FN4O2/c1-3-26-10-4-9-21-12-14-11-17-13(2)23-24(18(17)22-19(14)25)16-7-5-15(20)6-8-16/h5-8,11,21H,3-4,9-10,12H2,1-2H3,(H,22,25)
InChIKeyTUWATYOBMYCDHH-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.68
Rot. Bonds8

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

5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (PubChem CID 135802739) has the molecular formula C19H23FN4O2 and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.

Molecular Properties

Compound Name5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
PubChem CID135802739
Molecular FormulaC19H23FN4O2
Molecular Weight358.42 g/mol
Exact Mass358.18
IUPAC Name5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one
SMILESCCOCCCNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O
InChIInChI=1S/C19H23FN4O2/c1-3-26-10-4-9-21-12-14-11-17-13(2)23-24(18(17)22-19(14)25)16-7-5-15(20)6-8-16/h5-8,11,21H,3-4,9-10,12H2,1-2H3,(H,22,25)
InChIKeyTUWATYOBMYCDHH-UHFFFAOYSA-N
XLogP2.68
TPSA71.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.68
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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Frequently Asked Questions

What is the IUPAC name of 5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The IUPAC name of 5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one (CID 135802739) is 5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one.
What is the SMILES notation for 5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The canonical SMILES for 5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is CCOCCCNCc1cc2c(C)nn(-c3ccc(F)cc3)c2[nH]c1=O.
What is the InChIKey of 5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
The InChIKey is TUWATYOBMYCDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN4O2/c1-3-26-10-4-9-21-12-14-11-17-13(2)23-24(18(17)22-19(14)25)16-7-5-15(20)6-8-16/h5-8,11,21H,3-4,9-10,12H2,1-2H3,(H,22,25).
What are the key properties of 5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one?
5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one has a molecular weight of 358.42 g/mol, XLogP of 2.68, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-ethoxypropylamino)methyl]-1-(4-fluorophenyl)-3-methyl-7H-pyrazolo[5,4-b]pyridin-6-one is sourced from PubChem (CID 135802739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).