4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide

C21H14N4O2 — CID 44526760

IUPAC4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cc(-c3cccc(O)c3)cc3[nH]ncc23)cc1
InChIInChI=1S/C21H14N4O2/c22-11-13-4-6-14(7-5-13)21(27)24-19-9-16(10-20-18(19)12-23-25-20)15-2-1-3-17(26)8-15/h1-10,12,26H,(H,23,25)(H,24,27)
InChIKeyPFCYMRNLHHRTOO-UHFFFAOYSA-N
MW354.37 g/mol
LogP4.06
Rot. Bonds3

About 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide

4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide (PubChem CID 44526760) has the molecular formula C21H14N4O2 and a molecular weight of 354.37 g/mol. Its IUPAC name is 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide.

Molecular Properties

Compound Name4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide
PubChem CID44526760
Molecular FormulaC21H14N4O2
Molecular Weight354.37 g/mol
Exact Mass354.11
IUPAC Name4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide
SMILESN#Cc1ccc(C(=O)Nc2cc(-c3cccc(O)c3)cc3[nH]ncc23)cc1
InChIInChI=1S/C21H14N4O2/c22-11-13-4-6-14(7-5-13)21(27)24-19-9-16(10-20-18(19)12-23-25-20)15-2-1-3-17(26)8-15/h1-10,12,26H,(H,23,25)(H,24,27)
InChIKeyPFCYMRNLHHRTOO-UHFFFAOYSA-N
XLogP4.06
TPSA101.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 54.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide?
The IUPAC name of 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide (CID 44526760) is 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide.
What is the SMILES notation for 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide?
The canonical SMILES for 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide is N#Cc1ccc(C(=O)Nc2cc(-c3cccc(O)c3)cc3[nH]ncc23)cc1.
What is the InChIKey of 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide?
The InChIKey is PFCYMRNLHHRTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4O2/c22-11-13-4-6-14(7-5-13)21(27)24-19-9-16(10-20-18(19)12-23-25-20)15-2-1-3-17(26)8-15/h1-10,12,26H,(H,23,25)(H,24,27).
What are the key properties of 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide?
4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide has a molecular weight of 354.37 g/mol, XLogP of 4.06, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyano-N-[6-(3-hydroxyphenyl)-1H-indazol-4-yl]benzamide is sourced from PubChem (CID 44526760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).