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

C20H14N4O2 — CID 155481755

IUPAC4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
SMILESCc1cc(C#N)ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C20H14N4O2/c1-12-8-13(10-21)2-4-16(12)20(25)22-15-3-5-18-17(9-15)19(24-23-18)14-6-7-26-11-14/h2-9,11H,1H3,(H,22,25)(H,23,24)
InChIKeyDFLJHRSNFHYYOU-UHFFFAOYSA-N
MW342.36 g/mol
LogP4.26
Rot. Bonds3

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

4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide (PubChem CID 155481755) has the molecular formula C20H14N4O2 and a molecular weight of 342.36 g/mol. Its IUPAC name is 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide.

Molecular Properties

Compound Name4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
PubChem CID155481755
Molecular FormulaC20H14N4O2
Molecular Weight342.36 g/mol
Exact Mass342.11
IUPAC Name4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
SMILESCc1cc(C#N)ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C20H14N4O2/c1-12-8-13(10-21)2-4-16(12)20(25)22-15-3-5-18-17(9-15)19(24-23-18)14-6-7-26-11-14/h2-9,11H,1H3,(H,22,25)(H,23,24)
InChIKeyDFLJHRSNFHYYOU-UHFFFAOYSA-N
XLogP4.26
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.36
LogP ≤ 54.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide?
The IUPAC name of 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide (CID 155481755) is 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide.
What is the SMILES notation for 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide?
The canonical SMILES for 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide is Cc1cc(C#N)ccc1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1.
What is the InChIKey of 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide?
The InChIKey is DFLJHRSNFHYYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N4O2/c1-12-8-13(10-21)2-4-16(12)20(25)22-15-3-5-18-17(9-15)19(24-23-18)14-6-7-26-11-14/h2-9,11H,1H3,(H,22,25)(H,23,24).
What are the key properties of 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide?
4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide has a molecular weight of 342.36 g/mol, XLogP of 4.26, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide is sourced from PubChem (CID 155481755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).