4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide

C27H28FN5O2 — CID 91827382

IUPAC4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5F)ccc34)cc2)CC1
InChIInChI=1S/C27H28FN5O2/c1-3-32-13-15-33(16-14-32)20-10-7-18(8-11-20)27(34)29-26-22-12-9-19(17-23(22)30-31-26)21-5-4-6-24(35-2)25(21)28/h4-12,17H,3,13-16H2,1-2H3,(H2,29,30,31,34)
InChIKeyANMVTYAYYHHSTF-UHFFFAOYSA-N
MW473.55 g/mol
LogP4.77
Rot. Bonds6

About 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide

4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide (PubChem CID 91827382) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide.

Molecular Properties

Compound Name4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
PubChem CID91827382
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5F)ccc34)cc2)CC1
InChIInChI=1S/C27H28FN5O2/c1-3-32-13-15-33(16-14-32)20-10-7-18(8-11-20)27(34)29-26-22-12-9-19(17-23(22)30-31-26)21-5-4-6-24(35-2)25(21)28/h4-12,17H,3,13-16H2,1-2H3,(H2,29,30,31,34)
InChIKeyANMVTYAYYHHSTF-UHFFFAOYSA-N
XLogP4.77
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 54.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The IUPAC name of 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide (CID 91827382) is 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide.
What is the SMILES notation for 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The canonical SMILES for 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide is CCN1CCN(c2ccc(C(=O)Nc3n[nH]c4cc(-c5cccc(OC)c5F)ccc34)cc2)CC1.
What is the InChIKey of 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
The InChIKey is ANMVTYAYYHHSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-3-32-13-15-33(16-14-32)20-10-7-18(8-11-20)27(34)29-26-22-12-9-19(17-23(22)30-31-26)21-5-4-6-24(35-2)25(21)28/h4-12,17H,3,13-16H2,1-2H3,(H2,29,30,31,34).
What are the key properties of 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide?
4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 4.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethylpiperazin-1-yl)-N-[6-(2-fluoro-3-methoxyphenyl)-1H-indazol-3-yl]benzamide is sourced from PubChem (CID 91827382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).