3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide

C20H13FN4O2 — CID 155481978

IUPAC3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide
SMILESCc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C20H13FN4O2/c1-11-2-3-12(9-22)18(21)17(11)20(26)23-14-4-5-16-15(8-14)19(25-24-16)13-6-7-27-10-13/h2-8,10H,1H3,(H,23,26)(H,24,25)
InChIKeyLYHUQSHBDYMHGA-UHFFFAOYSA-N
MW360.35 g/mol
LogP4.39
Rot. Bonds3

About 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide

3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide (PubChem CID 155481978) has the molecular formula C20H13FN4O2 and a molecular weight of 360.35 g/mol. Its IUPAC name is 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide.

Molecular Properties

Compound Name3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide
PubChem CID155481978
Molecular FormulaC20H13FN4O2
Molecular Weight360.35 g/mol
Exact Mass360.10
IUPAC Name3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide
SMILESCc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1
InChIInChI=1S/C20H13FN4O2/c1-11-2-3-12(9-22)18(21)17(11)20(26)23-14-4-5-16-15(8-14)19(25-24-16)13-6-7-27-10-13/h2-8,10H,1H3,(H,23,26)(H,24,25)
InChIKeyLYHUQSHBDYMHGA-UHFFFAOYSA-N
XLogP4.39
TPSA94.71 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.35
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-3-methylpyridine-2-carboxamide
CID 155482133
4-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
CID 155481755
6-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]-4-methylpyridazine-3-carboxamide
CID 155482407
3-bromo-6-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-2-methylbenzamide
CID 155481835
3-bromo-5-cyano-N-[3-(furan-3-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482100
N-[3-(furan-3-yl)-1H-indazol-5-yl]-2,1,3-benzothiadiazole-5-carboxamide
CID 155134616
N-[3-(furan-3-yl)-1H-indazol-5-yl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 155134814
3-cyano-2,6-difluoro-N-[3-(furan-3-yl)-1H-isoindol-5-yl]benzamide
CID 167625204
5-cyano-4-methoxy-3-methyl-N-[3-(1,2-oxazol-4-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482655
2-cyano-N-(3-pyridin-4-yl-1H-indazol-5-yl)pyridine-4-carboxamide
CID 155481934
5-cyano-3-methyl-N-[3-(1,2-oxazol-5-yl)-1H-indazol-5-yl]pyridine-2-carboxamide
CID 155482398
3-(furan-3-yl)-1H-indazole-5-carboxamide
CID 22479981

Frequently Asked Questions

What is the IUPAC name of 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide?
The IUPAC name of 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide (CID 155481978) is 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide.
What is the SMILES notation for 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide?
The canonical SMILES for 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide is Cc1ccc(C#N)c(F)c1C(=O)Nc1ccc2[nH]nc(-c3ccoc3)c2c1.
What is the InChIKey of 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide?
The InChIKey is LYHUQSHBDYMHGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H13FN4O2/c1-11-2-3-12(9-22)18(21)17(11)20(26)23-14-4-5-16-15(8-14)19(25-24-16)13-6-7-27-10-13/h2-8,10H,1H3,(H,23,26)(H,24,25).
What are the key properties of 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide?
3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide has a molecular weight of 360.35 g/mol, XLogP of 4.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-2-fluoro-N-[3-(furan-3-yl)-1H-indazol-5-yl]-6-methylbenzamide is sourced from PubChem (CID 155481978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).