3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide

C20H11F3N4O2 — CID 155482472

IUPAC3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c1C(F)(F)F
InChIInChI=1S/C20H11F3N4O2/c21-20(22,23)17-11(9-24)2-1-3-14(17)19(28)25-13-4-5-16-15(8-13)18(27-26-16)12-6-7-29-10-12/h1-8,10H,(H,25,28)(H,26,27)
InChIKeyHMKSMXCVGFBXRM-UHFFFAOYSA-N
MW396.33 g/mol
LogP4.97
Rot. Bonds3

About 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide

3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide (PubChem CID 155482472) has the molecular formula C20H11F3N4O2 and a molecular weight of 396.33 g/mol. Its IUPAC name is 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide
PubChem CID155482472
Molecular FormulaC20H11F3N4O2
Molecular Weight396.33 g/mol
Exact Mass396.08
IUPAC Name3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide
SMILESN#Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c1C(F)(F)F
InChIInChI=1S/C20H11F3N4O2/c21-20(22,23)17-11(9-24)2-1-3-14(17)19(28)25-13-4-5-16-15(8-13)18(27-26-16)12-6-7-29-10-12/h1-8,10H,(H,25,28)(H,26,27)
InChIKeyHMKSMXCVGFBXRM-UHFFFAOYSA-N
XLogP4.97
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.33
LogP ≤ 54.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide?
The IUPAC name of 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide (CID 155482472) is 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide?
The canonical SMILES for 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide is N#Cc1cccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c1C(F)(F)F.
What is the InChIKey of 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide?
The InChIKey is HMKSMXCVGFBXRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11F3N4O2/c21-20(22,23)17-11(9-24)2-1-3-14(17)19(28)25-13-4-5-16-15(8-13)18(27-26-16)12-6-7-29-10-12/h1-8,10H,(H,25,28)(H,26,27).
What are the key properties of 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide?
3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide has a molecular weight of 396.33 g/mol, XLogP of 4.97, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-(trifluoromethyl)benzamide is sourced from PubChem (CID 155482472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).