3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide

C29H26N4O4 — CID 71602669

IUPAC3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5)ccc43)c2)cc(OC)c1OC
InChIInChI=1S/C29H26N4O4/c1-35-26-16-23(17-27(36-2)28(26)37-3)32-29(34)19-8-7-11-24(15-19)33-25-13-12-22(14-20(25)18-30-33)31-21-9-5-4-6-10-21/h4-18,31H,1-3H3,(H,32,34)
InChIKeySLHHRPHWICLQNW-UHFFFAOYSA-N
MW494.55 g/mol
LogP6.05
Rot. Bonds8

About 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide

3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 71602669) has the molecular formula C29H26N4O4 and a molecular weight of 494.55 g/mol. Its IUPAC name is 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID71602669
Molecular FormulaC29H26N4O4
Molecular Weight494.55 g/mol
Exact Mass494.20
IUPAC Name3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5)ccc43)c2)cc(OC)c1OC
InChIInChI=1S/C29H26N4O4/c1-35-26-16-23(17-27(36-2)28(26)37-3)32-29(34)19-8-7-11-24(15-19)33-25-13-12-22(14-20(25)18-30-33)31-21-9-5-4-6-10-21/h4-18,31H,1-3H3,(H,32,34)
InChIKeySLHHRPHWICLQNW-UHFFFAOYSA-N
XLogP6.05
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.55
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide (CID 71602669) is 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5)ccc43)c2)cc(OC)c1OC.
What is the InChIKey of 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is SLHHRPHWICLQNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O4/c1-35-26-16-23(17-27(36-2)28(26)37-3)32-29(34)19-8-7-11-24(15-19)33-25-13-12-22(14-20(25)18-30-33)31-21-9-5-4-6-10-21/h4-18,31H,1-3H3,(H,32,34).
What are the key properties of 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide?
3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 494.55 g/mol, XLogP of 6.05, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 71602669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).