5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide

C21H24FN5O — CID 126799516

IUPAC5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(F)cc2C(=O)NCCc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C21H24FN5O/c1-26-8-10-27(11-9-26)20-5-4-17(22)13-18(20)21(28)23-7-6-15-2-3-16-14-24-25-19(16)12-15/h2-5,12-14H,6-11H2,1H3,(H,23,28)(H,24,25)
InChIKeyIOWLRMOOLXOSSD-UHFFFAOYSA-N
MW381.46 g/mol
LogP2.43
Rot. Bonds5

About 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide

5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide (PubChem CID 126799516) has the molecular formula C21H24FN5O and a molecular weight of 381.46 g/mol. Its IUPAC name is 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound Name5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
PubChem CID126799516
Molecular FormulaC21H24FN5O
Molecular Weight381.46 g/mol
Exact Mass381.20
IUPAC Name5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide
SMILESCN1CCN(c2ccc(F)cc2C(=O)NCCc2ccc3cn[nH]c3c2)CC1
InChIInChI=1S/C21H24FN5O/c1-26-8-10-27(11-9-26)20-5-4-17(22)13-18(20)21(28)23-7-6-15-2-3-16-14-24-25-19(16)12-15/h2-5,12-14H,6-11H2,1H3,(H,23,28)(H,24,25)
InChIKeyIOWLRMOOLXOSSD-UHFFFAOYSA-N
XLogP2.43
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.46
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide (CID 126799516) is 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide is CN1CCN(c2ccc(F)cc2C(=O)NCCc2ccc3cn[nH]c3c2)CC1.
What is the InChIKey of 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is IOWLRMOOLXOSSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24FN5O/c1-26-8-10-27(11-9-26)20-5-4-17(22)13-18(20)21(28)23-7-6-15-2-3-16-14-24-25-19(16)12-15/h2-5,12-14H,6-11H2,1H3,(H,23,28)(H,24,25).
What are the key properties of 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide?
5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 381.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[2-(1H-indazol-6-yl)ethyl]-2-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 126799516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).