4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide

C20H14F2N4O2 — CID 134328024

IUPAC4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
SMILESCOc1cccc(F)c1-c1cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2cn1
InChIInChI=1S/C20H14F2N4O2/c1-28-17-4-2-3-14(22)18(17)15-9-13-16(10-23-15)25-26-19(13)24-20(27)11-5-7-12(21)8-6-11/h2-10H,1H3,(H2,24,25,26,27)
InChIKeySSIZTKGRNBTQEO-UHFFFAOYSA-N
MW380.35 g/mol
LogP4.16
Rot. Bonds4

About 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide

4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide (PubChem CID 134328024) has the molecular formula C20H14F2N4O2 and a molecular weight of 380.35 g/mol. Its IUPAC name is 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
PubChem CID134328024
Molecular FormulaC20H14F2N4O2
Molecular Weight380.35 g/mol
Exact Mass380.11
IUPAC Name4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
SMILESCOc1cccc(F)c1-c1cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2cn1
InChIInChI=1S/C20H14F2N4O2/c1-28-17-4-2-3-14(22)18(17)15-9-13-16(10-23-15)25-26-19(13)24-20(27)11-5-7-12(21)8-6-11/h2-10H,1H3,(H2,24,25,26,27)
InChIKeySSIZTKGRNBTQEO-UHFFFAOYSA-N
XLogP4.16
TPSA79.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.35
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide (CID 134328024) is 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide is COc1cccc(F)c1-c1cc2c(NC(=O)c3ccc(F)cc3)n[nH]c2cn1.
What is the InChIKey of 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide?
The InChIKey is SSIZTKGRNBTQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14F2N4O2/c1-28-17-4-2-3-14(22)18(17)15-9-13-16(10-23-15)25-26-19(13)24-20(27)11-5-7-12(21)8-6-11/h2-10H,1H3,(H2,24,25,26,27).
What are the key properties of 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide?
4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide has a molecular weight of 380.35 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 134328024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).