6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide

C22H19N3O2 — CID 166632709

IUPAC6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide
SMILESCCOc1cccc(-c2ccc3c(C(=O)Nc4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C22H19N3O2/c1-2-27-18-10-6-7-15(13-18)16-11-12-19-20(14-16)24-25-21(19)22(26)23-17-8-4-3-5-9-17/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChIKeyYNHMMPBOSVFCCJ-UHFFFAOYSA-N
MW357.41 g/mol
LogP4.88
Rot. Bonds5

About 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide

6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide (PubChem CID 166632709) has the molecular formula C22H19N3O2 and a molecular weight of 357.41 g/mol. Its IUPAC name is 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide.

Molecular Properties

Compound Name6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide
PubChem CID166632709
Molecular FormulaC22H19N3O2
Molecular Weight357.41 g/mol
Exact Mass357.15
IUPAC Name6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide
SMILESCCOc1cccc(-c2ccc3c(C(=O)Nc4ccccc4)n[nH]c3c2)c1
InChIInChI=1S/C22H19N3O2/c1-2-27-18-10-6-7-15(13-18)16-11-12-19-20(14-16)24-25-21(19)22(26)23-17-8-4-3-5-9-17/h3-14H,2H2,1H3,(H,23,26)(H,24,25)
InChIKeyYNHMMPBOSVFCCJ-UHFFFAOYSA-N
XLogP4.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 54.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(1r,2s)-2-{3-[(E)-2-{4-[(Dimethylamino)methyl]phenyl}ethenyl]-2h-Indazol-6-Yl}-5'-Methoxyspiro[cyclopropane-1,3'-Indol]-2'(1'h)-One
CID 58486384
3-ethoxy-N-(1H-indazol-5-yl)benzamide
CID 6468066
4-(4-Ethylpiperazin-1-Yl)-N-[6-(3-Methoxyphenyl)-2h-Indazol-3-Yl]benzamide
CID 91801169
Fgfr2-IN-1
CID 157049296
1H-indazol-3-yl-[4-(2-methoxyphenyl)piperazin-1-yl]methanone
CID 2572779
N-(4-methoxyphenyl)-2H-indazole-3-carboxamide
CID 9412007
N-(3-methoxyphenyl)-1H-indazole-3-carboxamide
CID 16866354
(2'S,3R)-2'-[3-[(E)-2-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethenyl]-1H-indazol-6-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
CID 58486383
N-[4-(5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71681990
3-(5-ethoxy-1H-indazol-3-yl)benzamide
CID 71682140
N-[3-(6-cyano-5-ethoxy-1H-indazol-3-yl)phenyl]acetamide
CID 71682143
5-methoxy-N-[(1-{3-[(phenylcarbonyl)amino]propyl}piperidin-4-yl)methyl]-1H-indazole-3-carboxamide
CID 71714698

Frequently Asked Questions

What is the IUPAC name of 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide?
The IUPAC name of 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide (CID 166632709) is 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide.
What is the SMILES notation for 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide?
The canonical SMILES for 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide is CCOc1cccc(-c2ccc3c(C(=O)Nc4ccccc4)n[nH]c3c2)c1.
What is the InChIKey of 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide?
The InChIKey is YNHMMPBOSVFCCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O2/c1-2-27-18-10-6-7-15(13-18)16-11-12-19-20(14-16)24-25-21(19)22(26)23-17-8-4-3-5-9-17/h3-14H,2H2,1H3,(H,23,26)(H,24,25).
What are the key properties of 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide?
6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide has a molecular weight of 357.41 g/mol, XLogP of 4.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-ethoxyphenyl)-N-phenyl-1H-indazole-3-carboxamide is sourced from PubChem (CID 166632709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).