3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid

C16H18FN3O2 — CID 82586061

IUPAC3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid
SMILESCN1CCc2c(c(-c3ccccc3F)nn2CCC(=O)O)C1
InChIInChI=1S/C16H18FN3O2/c1-19-8-6-14-12(10-19)16(11-4-2-3-5-13(11)17)18-20(14)9-7-15(21)22/h2-5H,6-10H2,1H3,(H,21,22)
InChIKeyNUXWQDRXYTURDA-UHFFFAOYSA-N
MW303.34 g/mol
LogP2.15
Rot. Bonds4

About 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid

3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid (PubChem CID 82586061) has the molecular formula C16H18FN3O2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid.

Molecular Properties

Compound Name3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid
PubChem CID82586061
Molecular FormulaC16H18FN3O2
Molecular Weight303.34 g/mol
Exact Mass303.14
IUPAC Name3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid
SMILESCN1CCc2c(c(-c3ccccc3F)nn2CCC(=O)O)C1
InChIInChI=1S/C16H18FN3O2/c1-19-8-6-14-12(10-19)16(11-4-2-3-5-13(11)17)18-20(14)9-7-15(21)22/h2-5H,6-10H2,1H3,(H,21,22)
InChIKeyNUXWQDRXYTURDA-UHFFFAOYSA-N
XLogP2.15
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid?
The IUPAC name of 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid (CID 82586061) is 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid.
What is the SMILES notation for 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid?
The canonical SMILES for 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid is CN1CCc2c(c(-c3ccccc3F)nn2CCC(=O)O)C1.
What is the InChIKey of 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid?
The InChIKey is NUXWQDRXYTURDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2/c1-19-8-6-14-12(10-19)16(11-4-2-3-5-13(11)17)18-20(14)9-7-15(21)22/h2-5H,6-10H2,1H3,(H,21,22).
What are the key properties of 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid?
3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid has a molecular weight of 303.34 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-fluorophenyl)-5-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]propanoic acid is sourced from PubChem (CID 82586061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).