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

C20H17FN4O2 — CID 134810215

IUPAC3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccc2F)C3)c1
InChIInChI=1S/C20H17FN4O2/c21-16-7-2-1-4-14(16)10-25-11-17-15(9-18(25)26)19(24-23-17)12-5-3-6-13(8-12)20(22)27/h1-8H,9-11H2,(H2,22,27)(H,23,24)
InChIKeyYHMBNSFRGLFGLS-UHFFFAOYSA-N
MW364.38 g/mol
LogP2.40
Rot. Bonds4

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

3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide (PubChem CID 134810215) has the molecular formula C20H17FN4O2 and a molecular weight of 364.38 g/mol. Its IUPAC name is 3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide
PubChem CID134810215
Molecular FormulaC20H17FN4O2
Molecular Weight364.38 g/mol
Exact Mass364.13
IUPAC Name3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide
SMILESNC(=O)c1cccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccc2F)C3)c1
InChIInChI=1S/C20H17FN4O2/c21-16-7-2-1-4-14(16)10-25-11-17-15(9-18(25)26)19(24-23-17)12-5-3-6-13(8-12)20(22)27/h1-8H,9-11H2,(H2,22,27)(H,23,24)
InChIKeyYHMBNSFRGLFGLS-UHFFFAOYSA-N
XLogP2.40
TPSA92.08 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.38
LogP ≤ 52.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide?
The IUPAC name of 3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide (CID 134810215) is 3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide.
What is the SMILES notation for 3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide?
The canonical SMILES for 3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide is NC(=O)c1cccc(-c2n[nH]c3c2CC(=O)N(Cc2ccccc2F)C3)c1.
What is the InChIKey of 3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide?
The InChIKey is YHMBNSFRGLFGLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN4O2/c21-16-7-2-1-4-14(16)10-25-11-17-15(9-18(25)26)19(24-23-17)12-5-3-6-13(8-12)20(22)27/h1-8H,9-11H2,(H2,22,27)(H,23,24).
What are the key properties of 3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide?
3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide has a molecular weight of 364.38 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-[(2-fluorophenyl)methyl]-5-oxo-4,7-dihydro-1H-pyrazolo[5,4-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 134810215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).