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

C26H27FN6O2 — CID 134327714

IUPAC4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cnc(-c5c(F)cccc5OC)cc34)cc2)CC1
InChIInChI=1S/C26H27FN6O2/c1-3-32-11-13-33(14-12-32)18-9-7-17(8-10-18)26(34)29-25-19-15-21(28-16-22(19)30-31-25)24-20(27)5-4-6-23(24)35-2/h4-10,15-16H,3,11-14H2,1-2H3,(H2,29,30,31,34)
InChIKeyPUDXYRDTGTVPOC-UHFFFAOYSA-N
MW474.54 g/mol
LogP4.17
Rot. Bonds6

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

4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide (PubChem CID 134327714) has the molecular formula C26H27FN6O2 and a molecular weight of 474.54 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
PubChem CID134327714
Molecular FormulaC26H27FN6O2
Molecular Weight474.54 g/mol
Exact Mass474.22
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cnc(-c5c(F)cccc5OC)cc34)cc2)CC1
InChIInChI=1S/C26H27FN6O2/c1-3-32-11-13-33(14-12-32)18-9-7-17(8-10-18)26(34)29-25-19-15-21(28-16-22(19)30-31-25)24-20(27)5-4-6-23(24)35-2/h4-10,15-16H,3,11-14H2,1-2H3,(H2,29,30,31,34)
InChIKeyPUDXYRDTGTVPOC-UHFFFAOYSA-N
XLogP4.17
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.54
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide (CID 134327714) is 4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide is CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cnc(-c5c(F)cccc5OC)cc34)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide?
The InChIKey is PUDXYRDTGTVPOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN6O2/c1-3-32-11-13-33(14-12-32)18-9-7-17(8-10-18)26(34)29-25-19-15-21(28-16-22(19)30-31-25)24-20(27)5-4-6-23(24)35-2/h4-10,15-16H,3,11-14H2,1-2H3,(H2,29,30,31,34).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide?
4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide has a molecular weight of 474.54 g/mol, XLogP of 4.17, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-[5-(2-fluoro-6-methoxyphenyl)-1H-pyrazolo[3,4-c]pyridin-3-yl]benzamide is sourced from PubChem (CID 134327714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).