3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide

C21H14F2N6O2 — CID 59528069

IUPAC3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5cccc(F)c5)c4cc3F)c2c1
InChIInChI=1S/C21H14F2N6O2/c1-31-13-5-6-29-17(8-13)15(10-24-29)18-16(23)9-14-19(25-18)27-28-20(14)26-21(30)11-3-2-4-12(22)7-11/h2-10H,1H3,(H2,25,26,27,28,30)
InChIKeyPBMXVKHVNAAPMF-UHFFFAOYSA-N
MW420.38 g/mol
LogP3.81
Rot. Bonds4

About 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide

3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide (PubChem CID 59528069) has the molecular formula C21H14F2N6O2 and a molecular weight of 420.38 g/mol. Its IUPAC name is 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
PubChem CID59528069
Molecular FormulaC21H14F2N6O2
Molecular Weight420.38 g/mol
Exact Mass420.11
IUPAC Name3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESCOc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5cccc(F)c5)c4cc3F)c2c1
InChIInChI=1S/C21H14F2N6O2/c1-31-13-5-6-29-17(8-13)15(10-24-29)18-16(23)9-14-19(25-18)27-28-20(14)26-21(30)11-3-2-4-12(22)7-11/h2-10H,1H3,(H2,25,26,27,28,30)
InChIKeyPBMXVKHVNAAPMF-UHFFFAOYSA-N
XLogP3.81
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.38
LogP ≤ 53.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The IUPAC name of 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide (CID 59528069) is 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The canonical SMILES for 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide is COc1ccn2ncc(-c3nc4[nH]nc(NC(=O)c5cccc(F)c5)c4cc3F)c2c1.
What is the InChIKey of 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The InChIKey is PBMXVKHVNAAPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O2/c1-31-13-5-6-29-17(8-13)15(10-24-29)18-16(23)9-14-19(25-18)27-28-20(14)26-21(30)11-3-2-4-12(22)7-11/h2-10H,1H3,(H2,25,26,27,28,30).
What are the key properties of 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide has a molecular weight of 420.38 g/mol, XLogP of 3.81, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 59528069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).