methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

C13H14F2N4O2 — CID 169016591

IUPACmethyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2cc(N3CCC(F)(F)CC3)ncc12
InChIInChI=1S/C13H14F2N4O2/c1-21-12(20)11-8-7-16-10(6-9(8)17-18-11)19-4-2-13(14,15)3-5-19/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyPFHYTKUWHOGTTL-UHFFFAOYSA-N
MW296.28 g/mol
LogP1.98
Rot. Bonds2

About methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate

methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate (PubChem CID 169016591) has the molecular formula C13H14F2N4O2 and a molecular weight of 296.28 g/mol. Its IUPAC name is methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
PubChem CID169016591
Molecular FormulaC13H14F2N4O2
Molecular Weight296.28 g/mol
Exact Mass296.11
IUPAC Namemethyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate
SMILESCOC(=O)c1n[nH]c2cc(N3CCC(F)(F)CC3)ncc12
InChIInChI=1S/C13H14F2N4O2/c1-21-12(20)11-8-7-16-10(6-9(8)17-18-11)19-4-2-13(14,15)3-5-19/h6-7H,2-5H2,1H3,(H,17,18)
InChIKeyPFHYTKUWHOGTTL-UHFFFAOYSA-N
XLogP1.98
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.28
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The IUPAC name of methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate (CID 169016591) is methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate.
What is the SMILES notation for methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The canonical SMILES for methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate is COC(=O)c1n[nH]c2cc(N3CCC(F)(F)CC3)ncc12.
What is the InChIKey of methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate?
The InChIKey is PFHYTKUWHOGTTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F2N4O2/c1-21-12(20)11-8-7-16-10(6-9(8)17-18-11)19-4-2-13(14,15)3-5-19/h6-7H,2-5H2,1H3,(H,17,18).
What are the key properties of methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate?
methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate has a molecular weight of 296.28 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-(4,4-difluoropiperidin-1-yl)-1H-pyrazolo[4,3-c]pyridine-3-carboxylate is sourced from PubChem (CID 169016591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).