methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate

C15H12F2N4O2 — CID 69002585

IUPACmethyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1nc2c(C)[nH]nc2c(F)c1Nc1ccccc1F
InChIInChI=1S/C15H12F2N4O2/c1-7-11-13(21-20-7)10(17)12(14(19-11)15(22)23-2)18-9-6-4-3-5-8(9)16/h3-6,18H,1-2H3,(H,20,21)
InChIKeyWDZKRKMLTUTOAI-UHFFFAOYSA-N
MW318.28 g/mol
LogP3.07
Rot. Bonds3

About methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate

methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate (PubChem CID 69002585) has the molecular formula C15H12F2N4O2 and a molecular weight of 318.28 g/mol. Its IUPAC name is methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate
PubChem CID69002585
Molecular FormulaC15H12F2N4O2
Molecular Weight318.28 g/mol
Exact Mass318.09
IUPAC Namemethyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate
SMILESCOC(=O)c1nc2c(C)[nH]nc2c(F)c1Nc1ccccc1F
InChIInChI=1S/C15H12F2N4O2/c1-7-11-13(21-20-7)10(17)12(14(19-11)15(22)23-2)18-9-6-4-3-5-8(9)16/h3-6,18H,1-2H3,(H,20,21)
InChIKeyWDZKRKMLTUTOAI-UHFFFAOYSA-N
XLogP3.07
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.28
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate (CID 69002585) is methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate is COC(=O)c1nc2c(C)[nH]nc2c(F)c1Nc1ccccc1F.
What is the InChIKey of methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate?
The InChIKey is WDZKRKMLTUTOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F2N4O2/c1-7-11-13(21-20-7)10(17)12(14(19-11)15(22)23-2)18-9-6-4-3-5-8(9)16/h3-6,18H,1-2H3,(H,20,21).
What are the key properties of methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate?
methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate has a molecular weight of 318.28 g/mol, XLogP of 3.07, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 7-fluoro-6-(2-fluoroanilino)-3-methyl-2H-pyrazolo[4,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 69002585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).