3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C19H25FN4O3 — CID 53018382

IUPAC3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOCCNC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1
InChIInChI=1S/C19H25FN4O3/c1-23-18-6-8-24(19(25)21-7-9-26-2)11-16(18)17(22-23)13-27-12-14-4-3-5-15(20)10-14/h3-5,10H,6-9,11-13H2,1-2H3,(H,21,25)
InChIKeyHGPDSOOSENUFBP-UHFFFAOYSA-N
MW376.43 g/mol
LogP1.99
Rot. Bonds7

About 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 53018382) has the molecular formula C19H25FN4O3 and a molecular weight of 376.43 g/mol. Its IUPAC name is 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
PubChem CID53018382
Molecular FormulaC19H25FN4O3
Molecular Weight376.43 g/mol
Exact Mass376.19
IUPAC Name3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
SMILESCOCCNC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1
InChIInChI=1S/C19H25FN4O3/c1-23-18-6-8-24(19(25)21-7-9-26-2)11-16(18)17(22-23)13-27-12-14-4-3-5-15(20)10-14/h3-5,10H,6-9,11-13H2,1-2H3,(H,21,25)
InChIKeyHGPDSOOSENUFBP-UHFFFAOYSA-N
XLogP1.99
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.43
LogP ≤ 51.99
H-Bond Donors ≤ 51
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 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The IUPAC name of 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 53018382) is 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.
What is the SMILES notation for 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The canonical SMILES for 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is COCCNC(=O)N1CCc2c(c(COCc3cccc(F)c3)nn2C)C1.
What is the InChIKey of 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
The InChIKey is HGPDSOOSENUFBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O3/c1-23-18-6-8-24(19(25)21-7-9-26-2)11-16(18)17(22-23)13-27-12-14-4-3-5-15(20)10-14/h3-5,10H,6-9,11-13H2,1-2H3,(H,21,25).
What are the key properties of 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?
3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 376.43 g/mol, XLogP of 1.99, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluorophenyl)methoxymethyl]-N-(2-methoxyethyl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 53018382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).