3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide

C19H11ClF2N4O2 — CID 137010651

IUPAC3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)c1
InChIInChI=1S/C19H11ClF2N4O2/c20-11-8-24-19(28)14-15(9-3-1-4-10(7-9)18(23)27)25-26(16(11)14)17-12(21)5-2-6-13(17)22/h1-8H,(H2,23,27)(H,24,28)
InChIKeyVZTUBKRXOBJNHH-UHFFFAOYSA-N
MW400.77 g/mol
LogP3.41
Rot. Bonds3

About 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide

3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide (PubChem CID 137010651) has the molecular formula C19H11ClF2N4O2 and a molecular weight of 400.77 g/mol. Its IUPAC name is 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide
PubChem CID137010651
Molecular FormulaC19H11ClF2N4O2
Molecular Weight400.77 g/mol
Exact Mass400.05
IUPAC Name3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)c1
InChIInChI=1S/C19H11ClF2N4O2/c20-11-8-24-19(28)14-15(9-3-1-4-10(7-9)18(23)27)25-26(16(11)14)17-12(21)5-2-6-13(17)22/h1-8H,(H2,23,27)(H,24,28)
InChIKeyVZTUBKRXOBJNHH-UHFFFAOYSA-N
XLogP3.41
TPSA93.77 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.77
LogP ≤ 53.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide?
The IUPAC name of 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide (CID 137010651) is 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide.
What is the SMILES notation for 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide?
The canonical SMILES for 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide is NC(=O)c1cccc(-c2nn(-c3c(F)cccc3F)c3c(Cl)c[nH]c(=O)c23)c1.
What is the InChIKey of 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide?
The InChIKey is VZTUBKRXOBJNHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11ClF2N4O2/c20-11-8-24-19(28)14-15(9-3-1-4-10(7-9)18(23)27)25-26(16(11)14)17-12(21)5-2-6-13(17)22/h1-8H,(H2,23,27)(H,24,28).
What are the key properties of 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide?
3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide has a molecular weight of 400.77 g/mol, XLogP of 3.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[7-chloro-1-(2,6-difluorophenyl)-4-oxo-5H-pyrazolo[4,5-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 137010651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).