5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

C13H14FN5O3 — CID 137335537

IUPAC5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOc1nc(N2CCc3c(c(C(=O)O)nn3C)C2)ncc1F
InChIInChI=1S/C13H14FN5O3/c1-18-9-3-4-19(6-7(9)10(17-18)12(20)21)13-15-5-8(14)11(16-13)22-2/h5H,3-4,6H2,1-2H3,(H,20,21)
InChIKeyJLPSWVCNADRNDX-UHFFFAOYSA-N
MW307.29 g/mol
LogP0.62
Rot. Bonds3

About 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid

5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (PubChem CID 137335537) has the molecular formula C13H14FN5O3 and a molecular weight of 307.29 g/mol. Its IUPAC name is 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
PubChem CID137335537
Molecular FormulaC13H14FN5O3
Molecular Weight307.29 g/mol
Exact Mass307.11
IUPAC Name5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid
SMILESCOc1nc(N2CCc3c(c(C(=O)O)nn3C)C2)ncc1F
InChIInChI=1S/C13H14FN5O3/c1-18-9-3-4-19(6-7(9)10(17-18)12(20)21)13-15-5-8(14)11(16-13)22-2/h5H,3-4,6H2,1-2H3,(H,20,21)
InChIKeyJLPSWVCNADRNDX-UHFFFAOYSA-N
XLogP0.62
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.29
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The IUPAC name of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid (CID 137335537) is 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid.
What is the SMILES notation for 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The canonical SMILES for 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is COc1nc(N2CCc3c(c(C(=O)O)nn3C)C2)ncc1F.
What is the InChIKey of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
The InChIKey is JLPSWVCNADRNDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN5O3/c1-18-9-3-4-19(6-7(9)10(17-18)12(20)21)13-15-5-8(14)11(16-13)22-2/h5H,3-4,6H2,1-2H3,(H,20,21).
What are the key properties of 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid?
5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid has a molecular weight of 307.29 g/mol, XLogP of 0.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-4-methoxypyrimidin-2-yl)-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-3-carboxylic acid is sourced from PubChem (CID 137335537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).