3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide

C30H28N4O4 — CID 71602720

IUPAC3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5C)ccc43)c2)cc(OC)c1OC
InChIInChI=1S/C30H28N4O4/c1-19-8-5-6-11-25(19)32-22-12-13-26-21(14-22)18-31-34(26)24-10-7-9-20(15-24)30(35)33-23-16-27(36-2)29(38-4)28(17-23)37-3/h5-18,32H,1-4H3,(H,33,35)
InChIKeyMVBDZVBTZZFDHH-UHFFFAOYSA-N
MW508.58 g/mol
LogP6.36
Rot. Bonds8

About 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide

3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide (PubChem CID 71602720) has the molecular formula C30H28N4O4 and a molecular weight of 508.58 g/mol. Its IUPAC name is 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide.

Molecular Properties

Compound Name3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
PubChem CID71602720
Molecular FormulaC30H28N4O4
Molecular Weight508.58 g/mol
Exact Mass508.21
IUPAC Name3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5C)ccc43)c2)cc(OC)c1OC
InChIInChI=1S/C30H28N4O4/c1-19-8-5-6-11-25(19)32-22-12-13-26-21(14-22)18-31-34(26)24-10-7-9-20(15-24)30(35)33-23-16-27(36-2)29(38-4)28(17-23)37-3/h5-18,32H,1-4H3,(H,33,35)
InChIKeyMVBDZVBTZZFDHH-UHFFFAOYSA-N
XLogP6.36
TPSA86.64 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500508.58
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

3-(4-{[(3-Methylphenyl)carbamoyl]amino}-1H-pyrazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 70702008
3-{5-[(2-Fluorophenyl)amino]-1h-Indazol-1-Yl}-N-(3,4,5-Trimethoxyphenyl)benzamide
CID 25174103
3-{4-[(Phenylcarbamoyl)amino]-1h-Pyrazol-1-Yl}-N-(3,4,5-Trimethoxyphenyl)benzamide
CID 49867175
3-(5-anilinoindazol-1-yl)-N-(3,4,5-trimethoxyphenyl)benzamide
CID 71602669
3-[5-(2-chloroanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide
CID 71602672
N-(4-ethoxy-3-methoxyphenyl)-3-[5-(2-fluoroanilino)indazol-1-yl]benzamide
CID 71602719
N-[2-(1H-indol-3-yl)ethyl]-2-(3,4,5-trimethoxyanilino)benzamide
CID 164612613
1-[(3,4,5-trimethoxyphenyl)-carbonyl]-1H-indazole-5-amine
CID 16210774
(Z)-1-[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]-3-(3,4,5-trimethoxyanilino)prop-2-en-1-one
CID 127049538
(Z)-1-(1,3-diphenylpyrazol-4-yl)-3-(3,4,5-trimethoxyanilino)prop-2-en-1-one
CID 127050477
2-indazol-2-yl-N-(3,4,5-trimethoxyphenyl)benzamide
CID 137656110
Benzamide, N-(1-(2-(dimethylamino)ethyl)-1H-indazol-5-yl)-3,4,5-trimethoxy-, monohydrochloride
CID 215741

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The IUPAC name of 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide (CID 71602720) is 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide.
What is the SMILES notation for 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The canonical SMILES for 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide is COc1cc(NC(=O)c2cccc(-n3ncc4cc(Nc5ccccc5C)ccc43)c2)cc(OC)c1OC.
What is the InChIKey of 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
The InChIKey is MVBDZVBTZZFDHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H28N4O4/c1-19-8-5-6-11-25(19)32-22-12-13-26-21(14-22)18-31-34(26)24-10-7-9-20(15-24)30(35)33-23-16-27(36-2)29(38-4)28(17-23)37-3/h5-18,32H,1-4H3,(H,33,35).
What are the key properties of 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide?
3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide has a molecular weight of 508.58 g/mol, XLogP of 6.36, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-methylanilino)indazol-1-yl]-N-(3,4,5-trimethoxyphenyl)benzamide is sourced from PubChem (CID 71602720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).