1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid

C14H14FN3O2 — CID 118561430

IUPAC1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C14H14FN3O2/c15-12-3-1-10(2-4-12)8-18-13-9-17(14(19)20)6-5-11(13)7-16-18/h1-4,7H,5-6,8-9H2,(H,19,20)
InChIKeyWLUBIHBZUJGJIP-UHFFFAOYSA-N
MW275.28 g/mol
LogP2.11
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid

1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (PubChem CID 118561430) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
PubChem CID118561430
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Name1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid
SMILESO=C(O)N1CCc2cnn(Cc3ccc(F)cc3)c2C1
InChIInChI=1S/C14H14FN3O2/c15-12-3-1-10(2-4-12)8-18-13-9-17(14(19)20)6-5-11(13)7-16-18/h1-4,7H,5-6,8-9H2,(H,19,20)
InChIKeyWLUBIHBZUJGJIP-UHFFFAOYSA-N
XLogP2.11
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid (CID 118561430) is 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is O=C(O)N1CCc2cnn(Cc3ccc(F)cc3)c2C1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
The InChIKey is WLUBIHBZUJGJIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c15-12-3-1-10(2-4-12)8-18-13-9-17(14(19)20)6-5-11(13)7-16-18/h1-4,7H,5-6,8-9H2,(H,19,20).
What are the key properties of 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid?
1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid has a molecular weight of 275.28 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine-6-carboxylic acid is sourced from PubChem (CID 118561430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).