4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide

C22H16F2N6O2 — CID 46183699

IUPAC4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESCOc1cc(C)n2ncc(-c3nc4[nH]nc(NC(=O)c5ccc(F)cc5)c4cc3F)c2c1
InChIInChI=1S/C22H16F2N6O2/c1-11-7-14(32-2)8-18-16(10-25-30(11)18)19-17(24)9-15-20(26-19)28-29-21(15)27-22(31)12-3-5-13(23)6-4-12/h3-10H,1-2H3,(H2,26,27,28,29,31)
InChIKeyYLXLJIGEBQHTPU-UHFFFAOYSA-N
MW434.41 g/mol
LogP4.12
Rot. Bonds4

About 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide

4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide (PubChem CID 46183699) has the molecular formula C22H16F2N6O2 and a molecular weight of 434.41 g/mol. Its IUPAC name is 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
PubChem CID46183699
Molecular FormulaC22H16F2N6O2
Molecular Weight434.41 g/mol
Exact Mass434.13
IUPAC Name4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide
SMILESCOc1cc(C)n2ncc(-c3nc4[nH]nc(NC(=O)c5ccc(F)cc5)c4cc3F)c2c1
InChIInChI=1S/C22H16F2N6O2/c1-11-7-14(32-2)8-18-16(10-25-30(11)18)19-17(24)9-15-20(26-19)28-29-21(15)27-22(31)12-3-5-13(23)6-4-12/h3-10H,1-2H3,(H2,26,27,28,29,31)
InChIKeyYLXLJIGEBQHTPU-UHFFFAOYSA-N
XLogP4.12
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.41
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The IUPAC name of 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide (CID 46183699) is 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The canonical SMILES for 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide is COc1cc(C)n2ncc(-c3nc4[nH]nc(NC(=O)c5ccc(F)cc5)c4cc3F)c2c1.
What is the InChIKey of 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
The InChIKey is YLXLJIGEBQHTPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N6O2/c1-11-7-14(32-2)8-18-16(10-25-30(11)18)19-17(24)9-15-20(26-19)28-29-21(15)27-22(31)12-3-5-13(23)6-4-12/h3-10H,1-2H3,(H2,26,27,28,29,31).
What are the key properties of 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide?
4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide has a molecular weight of 434.41 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[5-fluoro-6-(5-methoxy-7-methylpyrazolo[1,5-a]pyridin-3-yl)-1H-pyrazolo[3,4-b]pyridin-3-yl]benzamide is sourced from PubChem (CID 46183699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).