3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide

C23H20N4O3 — CID 22479707

IUPAC3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1
InChIInChI=1S/C23H20N4O3/c1-30-18-8-5-14(6-9-18)11-21(28)25-17-4-2-3-15(12-17)22-19-13-16(23(24)29)7-10-20(19)26-27-22/h2-10,12-13H,11H2,1H3,(H2,24,29)(H,25,28)(H,26,27)
InChIKeyOAFOSPBRAFRLDD-UHFFFAOYSA-N
MW400.44 g/mol
LogP3.52
Rot. Bonds6

About 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide

3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide (PubChem CID 22479707) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide.

Molecular Properties

Compound Name3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide
PubChem CID22479707
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1
InChIInChI=1S/C23H20N4O3/c1-30-18-8-5-14(6-9-18)11-21(28)25-17-4-2-3-15(12-17)22-19-13-16(23(24)29)7-10-20(19)26-27-22/h2-10,12-13H,11H2,1H3,(H2,24,29)(H,25,28)(H,26,27)
InChIKeyOAFOSPBRAFRLDD-UHFFFAOYSA-N
XLogP3.52
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-1H-Indazol-5-yl-4-methoxybenzamide
CID 3348038
4-ethoxy-N-(1H-indazol-5-yl)benzamide
CID 6464232
N-(1H-indazol-5-yl)-3-methoxybenzamide
CID 6465251
4-(4-Ethylpiperazin-1-Yl)-N-[6-(3-Methoxyphenyl)-2h-Indazol-3-Yl]benzamide
CID 91801169
N-(4-methoxyphenyl)-2H-indazole-3-carboxamide
CID 9412007
N-(3-methoxyphenyl)-1H-indazole-3-carboxamide
CID 16866354
N-{[cis-4-(2-Phenoxyethyl)cyclohexyl]methyl}-1H-indazole-5-carboxamide
CID 44442113
3-(5-ethoxy-1H-indazol-3-yl)benzamide
CID 71682140
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-formylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 86711021
N-(cyclopropyl(phenyl)methyl)-3-(4-((1-methylpiperidin-4-yl)oxy)phenyl)-1H-indazole-5-carboxamide
CID 89509708
N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-5-(4-methoxyphenyl)-1H-indazole-3-carboxamide
CID 89777950
4-[4-fluoro-3-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-N-(1H-indazol-5-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxamide
CID 118888912

Frequently Asked Questions

What is the IUPAC name of 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide?
The IUPAC name of 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide (CID 22479707) is 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide.
What is the SMILES notation for 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide?
The canonical SMILES for 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide is COc1ccc(CC(=O)Nc2cccc(-c3n[nH]c4ccc(C(N)=O)cc34)c2)cc1.
What is the InChIKey of 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide?
The InChIKey is OAFOSPBRAFRLDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-30-18-8-5-14(6-9-18)11-21(28)25-17-4-2-3-15(12-17)22-19-13-16(23(24)29)7-10-20(19)26-27-22/h2-10,12-13H,11H2,1H3,(H2,24,29)(H,25,28)(H,26,27).
What are the key properties of 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide?
3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide has a molecular weight of 400.44 g/mol, XLogP of 3.52, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-1H-indazole-5-carboxamide is sourced from PubChem (CID 22479707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).