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

C21H23N3O5 — CID 10157638

IUPACmethyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate
SMILESCCC(Oc1ccc2[nH]nc(NC(=O)Cc3ccc(OC)cc3)c2c1)C(=O)OC
InChIInChI=1S/C21H23N3O5/c1-4-18(21(26)28-3)29-15-9-10-17-16(12-15)20(24-23-17)22-19(25)11-13-5-7-14(27-2)8-6-13/h5-10,12,18H,4,11H2,1-3H3,(H2,22,23,24,25)
InChIKeyQKTVRRIMMBCHBN-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.08
Rot. Bonds8

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

methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate (PubChem CID 10157638) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate.

Molecular Properties

Compound Namemethyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate
PubChem CID10157638
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Namemethyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate
SMILESCCC(Oc1ccc2[nH]nc(NC(=O)Cc3ccc(OC)cc3)c2c1)C(=O)OC
InChIInChI=1S/C21H23N3O5/c1-4-18(21(26)28-3)29-15-9-10-17-16(12-15)20(24-23-17)22-19(25)11-13-5-7-14(27-2)8-6-13/h5-10,12,18H,4,11H2,1-3H3,(H2,22,23,24,25)
InChIKeyQKTVRRIMMBCHBN-UHFFFAOYSA-N
XLogP3.08
TPSA102.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoic acid
CID 141064739
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
2-phenyl-N-(5-phenyl-1H-indazol-3-yl)acetamide
CID 169493092
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
3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-pyrazole-5-carboxylic acid
CID 64528429
2-(4-methoxyphenyl)-N-(3-methoxy-1H-1,2,4-triazol-5-yl)acetamide
CID 83093707
2-[[2-(5-methoxy-1H-indol-3-yl)acetyl]amino]-3-methylpentanamide
CID 86985615
methyl 2-(4-hydroxyphenoxy)butanoate
CID 23513287
2-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(1,3,5-triazin-2-yloxy)-1H-indazol-3-yl]acetamide
CID 177233030
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate?
The IUPAC name of methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate (CID 10157638) is methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate.
What is the SMILES notation for methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate?
The canonical SMILES for methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate is CCC(Oc1ccc2[nH]nc(NC(=O)Cc3ccc(OC)cc3)c2c1)C(=O)OC.
What is the InChIKey of methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate?
The InChIKey is QKTVRRIMMBCHBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-4-18(21(26)28-3)29-15-9-10-17-16(12-15)20(24-23-17)22-19(25)11-13-5-7-14(27-2)8-6-13/h5-10,12,18H,4,11H2,1-3H3,(H2,22,23,24,25).
What are the key properties of methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate?
methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate has a molecular weight of 397.43 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[2-(4-methoxyphenyl)acetyl]amino]-1H-indazol-5-yl]oxy]butanoate is sourced from PubChem (CID 10157638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).