3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide

C27H28FN5O2 — CID 146209074

IUPAC3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CN2CCNCC2)NC(=O)c2cccc(-c3ccc4n[nH]c(F)c4c3)c2)c1
InChIInChI=1S/C27H28FN5O2/c1-35-22-7-3-5-20(15-22)25(17-33-12-10-29-11-13-33)30-27(34)21-6-2-4-18(14-21)19-8-9-24-23(16-19)26(28)32-31-24/h2-9,14-16,25,29H,10-13,17H2,1H3,(H,30,34)(H,31,32)
InChIKeyLDBFNMYQAWGPMG-UHFFFAOYSA-N
MW473.55 g/mol
LogP3.75
Rot. Bonds7

About 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide

3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide (PubChem CID 146209074) has the molecular formula C27H28FN5O2 and a molecular weight of 473.55 g/mol. Its IUPAC name is 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide.

Molecular Properties

Compound Name3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide
PubChem CID146209074
Molecular FormulaC27H28FN5O2
Molecular Weight473.55 g/mol
Exact Mass473.22
IUPAC Name3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide
SMILESCOc1cccc(C(CN2CCNCC2)NC(=O)c2cccc(-c3ccc4n[nH]c(F)c4c3)c2)c1
InChIInChI=1S/C27H28FN5O2/c1-35-22-7-3-5-20(15-22)25(17-33-12-10-29-11-13-33)30-27(34)21-6-2-4-18(14-21)19-8-9-24-23(16-19)26(28)32-31-24/h2-9,14-16,25,29H,10-13,17H2,1H3,(H,30,34)(H,31,32)
InChIKeyLDBFNMYQAWGPMG-UHFFFAOYSA-N
XLogP3.75
TPSA82.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 53.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide?
The IUPAC name of 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide (CID 146209074) is 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide.
What is the SMILES notation for 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide?
The canonical SMILES for 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide is COc1cccc(C(CN2CCNCC2)NC(=O)c2cccc(-c3ccc4n[nH]c(F)c4c3)c2)c1.
What is the InChIKey of 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide?
The InChIKey is LDBFNMYQAWGPMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN5O2/c1-35-22-7-3-5-20(15-22)25(17-33-12-10-29-11-13-33)30-27(34)21-6-2-4-18(14-21)19-8-9-24-23(16-19)26(28)32-31-24/h2-9,14-16,25,29H,10-13,17H2,1H3,(H,30,34)(H,31,32).
What are the key properties of 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide?
3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide has a molecular weight of 473.55 g/mol, XLogP of 3.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2H-indazol-5-yl)-N-[1-(3-methoxyphenyl)-2-piperazin-1-ylethyl]benzamide is sourced from PubChem (CID 146209074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).