methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate

C14H14FN3O2 — CID 90002447

IUPACmethyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate
SMILESCOC(=O)C1CCc2nn(-c3ccc(F)cc3)cc2N1
InChIInChI=1S/C14H14FN3O2/c1-20-14(19)12-7-6-11-13(16-12)8-18(17-11)10-4-2-9(15)3-5-10/h2-5,8,12,16H,6-7H2,1H3
InChIKeySJKPZTKDXOUUDZ-UHFFFAOYSA-N
MW275.28 g/mol
LogP1.91
Rot. Bonds2

About methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate

methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate (PubChem CID 90002447) has the molecular formula C14H14FN3O2 and a molecular weight of 275.28 g/mol. Its IUPAC name is methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate
PubChem CID90002447
Molecular FormulaC14H14FN3O2
Molecular Weight275.28 g/mol
Exact Mass275.11
IUPAC Namemethyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate
SMILESCOC(=O)C1CCc2nn(-c3ccc(F)cc3)cc2N1
InChIInChI=1S/C14H14FN3O2/c1-20-14(19)12-7-6-11-13(16-12)8-18(17-11)10-4-2-9(15)3-5-10/h2-5,8,12,16H,6-7H2,1H3
InChIKeySJKPZTKDXOUUDZ-UHFFFAOYSA-N
XLogP1.91
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate?
The IUPAC name of methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate (CID 90002447) is methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate.
What is the SMILES notation for methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate?
The canonical SMILES for methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate is COC(=O)C1CCc2nn(-c3ccc(F)cc3)cc2N1.
What is the InChIKey of methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate?
The InChIKey is SJKPZTKDXOUUDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FN3O2/c1-20-14(19)12-7-6-11-13(16-12)8-18(17-11)10-4-2-9(15)3-5-10/h2-5,8,12,16H,6-7H2,1H3.
What are the key properties of methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate?
methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate has a molecular weight of 275.28 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-fluorophenyl)-4,5,6,7-tetrahydropyrazolo[4,3-b]pyridine-5-carboxylate is sourced from PubChem (CID 90002447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).