2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid

C20H21N3O5 — CID 141064739

IUPAC2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid
SMILESCCC(Oc1ccc2[nH]nc(NC(=O)Cc3ccc(OC)cc3)c2c1)C(=O)O
InChIInChI=1S/C20H21N3O5/c1-3-17(20(25)26)28-14-8-9-16-15(11-14)19(23-22-16)21-18(24)10-12-4-6-13(27-2)7-5-12/h4-9,11,17H,3,10H2,1-2H3,(H,25,26)(H2,21,22,23,24)
InChIKeyDMDUOMBCYILVKU-UHFFFAOYSA-N
MW383.40 g/mol
LogP2.99
Rot. Bonds8

About 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid

2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid (PubChem CID 141064739) has the molecular formula C20H21N3O5 and a molecular weight of 383.40 g/mol. Its IUPAC name is 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid.

Molecular Properties

Compound Name2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid
PubChem CID141064739
Molecular FormulaC20H21N3O5
Molecular Weight383.40 g/mol
Exact Mass383.15
IUPAC Name2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid
SMILESCCC(Oc1ccc2[nH]nc(NC(=O)Cc3ccc(OC)cc3)c2c1)C(=O)O
InChIInChI=1S/C20H21N3O5/c1-3-17(20(25)26)28-14-8-9-16-15(11-14)19(23-22-16)21-18(24)10-12-4-6-13(27-2)7-5-12/h4-9,11,17H,3,10H2,1-2H3,(H,25,26)(H2,21,22,23,24)
InChIKeyDMDUOMBCYILVKU-UHFFFAOYSA-N
XLogP2.99
TPSA113.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.40
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid with MolForge

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Related Compounds

methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate
CID 10157638
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-hydroxyphenyl)acetamide
CID 142656198
2-(3,4-dimethoxyphenyl)-N-(1H-indazol-3-yl)acetamide
CID 155530819
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
2-(4-methoxyphenyl)-N-[4-[[2-(4-methoxyphenyl)acetyl]amino]-1,2,5-oxadiazol-3-yl]acetamide
CID 3596684
N-[5-(diethylamino)-1H-indazol-3-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 142656267
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1,3,5-triazin-2-yloxy)-1H-indazol-3-yl]acetamide
CID 177233030
5-[(4-methoxyphenyl)methylamino]-1H-indazole-3-carboxylic acid
CID 167800698
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-(5-methoxy-1H-indazol-3-yl)-2-phenyloxolane-2-carboxamide
CID 136564747

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid?
The IUPAC name of 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid (CID 141064739) is 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid.
What is the SMILES notation for 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid?
The canonical SMILES for 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid is CCC(Oc1ccc2[nH]nc(NC(=O)Cc3ccc(OC)cc3)c2c1)C(=O)O.
What is the InChIKey of 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid?
The InChIKey is DMDUOMBCYILVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5/c1-3-17(20(25)26)28-14-8-9-16-15(11-14)19(23-22-16)21-18(24)10-12-4-6-13(27-2)7-5-12/h4-9,11,17H,3,10H2,1-2H3,(H,25,26)(H2,21,22,23,24).
What are the key properties of 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid?
2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid has a molecular weight of 383.40 g/mol, XLogP of 2.99, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid is sourced from PubChem (CID 141064739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).