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

C21H14F2N6O2 — CID 59528113

IUPAC2-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)c5ccccc5F)c4cc3F)c2c1
InChIInChI=1S/C21H14F2N6O2/c1-31-11-6-7-29-17(8-11)14(10-24-29)18-16(23)9-13-19(25-18)27-28-20(13)26-21(30)12-4-2-3-5-15(12)22/h2-10H,1H3,(H2,25,26,27,28,30)
InChIKeyYGUCIOJYWLUKNI-UHFFFAOYSA-N
MW420.38 g/mol
LogP3.81
Rot. Bonds4

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

2-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide (PubChem CID 59528113) has the molecular formula C21H14F2N6O2 and a molecular weight of 420.38 g/mol. Its IUPAC name is 2-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 Name2-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
PubChem CID59528113
Molecular FormulaC21H14F2N6O2
Molecular Weight420.38 g/mol
Exact Mass420.11
IUPAC Name2-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)c5ccccc5F)c4cc3F)c2c1
InChIInChI=1S/C21H14F2N6O2/c1-31-11-6-7-29-17(8-11)14(10-24-29)18-16(23)9-13-19(25-18)27-28-20(13)26-21(30)12-4-2-3-5-15(12)22/h2-10H,1H3,(H2,25,26,27,28,30)
InChIKeyYGUCIOJYWLUKNI-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

Analyze 2-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-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 2-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide (CID 59528113) is 2-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 2-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 2-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)c5ccccc5F)c4cc3F)c2c1.
What is the InChIKey of 2-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 YGUCIOJYWLUKNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14F2N6O2/c1-31-11-6-7-29-17(8-11)14(10-24-29)18-16(23)9-13-19(25-18)27-28-20(13)26-21(30)12-4-2-3-5-15(12)22/h2-10H,1H3,(H2,25,26,27,28,30).
What are the key properties of 2-fluoro-N-[5-fluoro-6-(5-methoxypyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
2-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 2-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 59528113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).