3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

C19H12F2N4O2 — CID 137010732

IUPAC3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)c1
InChIInChI=1S/C19H12F2N4O2/c20-12-5-2-6-13(21)17(12)25-14-7-8-23-19(27)15(14)16(24-25)10-3-1-4-11(9-10)18(22)26/h1-9H,(H2,22,26)(H,23,27)
InChIKeyXSZXWRXGZLLGCT-UHFFFAOYSA-N
MW366.33 g/mol
LogP2.76
Rot. Bonds3

About 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide

3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (PubChem CID 137010732) has the molecular formula C19H12F2N4O2 and a molecular weight of 366.33 g/mol. Its IUPAC name is 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
PubChem CID137010732
Molecular FormulaC19H12F2N4O2
Molecular Weight366.33 g/mol
Exact Mass366.09
IUPAC Name3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)c1
InChIInChI=1S/C19H12F2N4O2/c20-12-5-2-6-13(21)17(12)25-14-7-8-23-19(27)15(14)16(24-25)10-3-1-4-11(9-10)18(22)26/h1-9H,(H2,22,26)(H,23,27)
InChIKeyXSZXWRXGZLLGCT-UHFFFAOYSA-N
XLogP2.76
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.33
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The IUPAC name of 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide (CID 137010732) is 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide.
What is the SMILES notation for 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The canonical SMILES for 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is NC(=O)c1cccc(-c2nn(-c3c(F)cccc3F)c3cc[nH]c(=O)c23)c1.
What is the InChIKey of 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
The InChIKey is XSZXWRXGZLLGCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F2N4O2/c20-12-5-2-6-13(21)17(12)25-14-7-8-23-19(27)15(14)16(24-25)10-3-1-4-11(9-10)18(22)26/h1-9H,(H2,22,26)(H,23,27).
What are the key properties of 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide?
3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide has a molecular weight of 366.33 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,3-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 137010732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).