N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide

C28H26F2N4O — CID 148828062

IUPACN-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide
SMILESC=CN1CCCC(N(Cc2cc(-c3ccc4[nH]ncc4c3)ccc2F)C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C28H26F2N4O/c1-2-33-13-3-4-25(18-33)34(28(35)19-5-9-24(29)10-6-19)17-23-15-20(7-11-26(23)30)21-8-12-27-22(14-21)16-31-32-27/h2,5-12,14-16,25H,1,3-4,13,17-18H2,(H,31,32)
InChIKeyOTCVTYAZWGPPNG-UHFFFAOYSA-N
MW472.54 g/mol
LogP5.76
Rot. Bonds6

About N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide

N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide (PubChem CID 148828062) has the molecular formula C28H26F2N4O and a molecular weight of 472.54 g/mol. Its IUPAC name is N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide.

Molecular Properties

Compound NameN-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide
PubChem CID148828062
Molecular FormulaC28H26F2N4O
Molecular Weight472.54 g/mol
Exact Mass472.21
IUPAC NameN-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide
SMILESC=CN1CCCC(N(Cc2cc(-c3ccc4[nH]ncc4c3)ccc2F)C(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C28H26F2N4O/c1-2-33-13-3-4-25(18-33)34(28(35)19-5-9-24(29)10-6-19)17-23-15-20(7-11-26(23)30)21-8-12-27-22(14-21)16-31-32-27/h2,5-12,14-16,25H,1,3-4,13,17-18H2,(H,31,32)
InChIKeyOTCVTYAZWGPPNG-UHFFFAOYSA-N
XLogP5.76
TPSA52.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide?
The IUPAC name of N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide (CID 148828062) is N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide.
What is the SMILES notation for N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide?
The canonical SMILES for N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide is C=CN1CCCC(N(Cc2cc(-c3ccc4[nH]ncc4c3)ccc2F)C(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide?
The InChIKey is OTCVTYAZWGPPNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H26F2N4O/c1-2-33-13-3-4-25(18-33)34(28(35)19-5-9-24(29)10-6-19)17-23-15-20(7-11-26(23)30)21-8-12-27-22(14-21)16-31-32-27/h2,5-12,14-16,25H,1,3-4,13,17-18H2,(H,31,32).
What are the key properties of N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide?
N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide has a molecular weight of 472.54 g/mol, XLogP of 5.76, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-ethenylpiperidin-3-yl)-4-fluoro-N-[[2-fluoro-5-(1H-indazol-5-yl)phenyl]methyl]benzamide is sourced from PubChem (CID 148828062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).