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

C19H11FN4O2 — CID 155482449

IUPAC4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c(F)c1
InChIInChI=1S/C19H11FN4O2/c20-16-7-11(9-21)1-3-14(16)19(25)22-13-2-4-17-15(8-13)18(24-23-17)12-5-6-26-10-12/h1-8,10H,(H,22,25)(H,23,24)
InChIKeyIKKXNYDCPZFFQM-UHFFFAOYSA-N
MW346.32 g/mol
LogP4.09
Rot. Bonds3

About 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide

4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide (PubChem CID 155482449) has the molecular formula C19H11FN4O2 and a molecular weight of 346.32 g/mol. Its IUPAC name is 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide.

Molecular Properties

Compound Name4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide
PubChem CID155482449
Molecular FormulaC19H11FN4O2
Molecular Weight346.32 g/mol
Exact Mass346.09
IUPAC Name4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c(F)c1
InChIInChI=1S/C19H11FN4O2/c20-16-7-11(9-21)1-3-14(16)19(25)22-13-2-4-17-15(8-13)18(24-23-17)12-5-6-26-10-12/h1-8,10H,(H,22,25)(H,23,24)
InChIKeyIKKXNYDCPZFFQM-UHFFFAOYSA-N
XLogP4.09
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide?
The IUPAC name of 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide (CID 155482449) is 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide.
What is the SMILES notation for 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide?
The canonical SMILES for 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide is N#Cc1ccc(C(=O)Nc2ccc3[nH]nc(-c4ccoc4)c3c2)c(F)c1.
What is the InChIKey of 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide?
The InChIKey is IKKXNYDCPZFFQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11FN4O2/c20-16-7-11(9-21)1-3-14(16)19(25)22-13-2-4-17-15(8-13)18(24-23-17)12-5-6-26-10-12/h1-8,10H,(H,22,25)(H,23,24).
What are the key properties of 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide?
4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide has a molecular weight of 346.32 g/mol, XLogP of 4.09, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]benzamide is sourced from PubChem (CID 155482449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).