methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate

C20H20ClN3O4 — CID 139345951

IUPACmethyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(Oc2cccc3c2cnn3C2CCCCO2)c1N
InChIInChI=1S/C20H20ClN3O4/c1-26-20(25)13-9-12(21)10-17(19(13)22)28-16-6-4-5-15-14(16)11-23-24(15)18-7-2-3-8-27-18/h4-6,9-11,18H,2-3,7-8,22H2,1H3
InChIKeyJWDWPGPTAXJVMU-UHFFFAOYSA-N
MW401.85 g/mol
LogP4.55
Rot. Bonds4

About methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate

methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate (PubChem CID 139345951) has the molecular formula C20H20ClN3O4 and a molecular weight of 401.85 g/mol. Its IUPAC name is methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate.

Molecular Properties

Compound Namemethyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate
PubChem CID139345951
Molecular FormulaC20H20ClN3O4
Molecular Weight401.85 g/mol
Exact Mass401.11
IUPAC Namemethyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate
SMILESCOC(=O)c1cc(Cl)cc(Oc2cccc3c2cnn3C2CCCCO2)c1N
InChIInChI=1S/C20H20ClN3O4/c1-26-20(25)13-9-12(21)10-17(19(13)22)28-16-6-4-5-15-14(16)11-23-24(15)18-7-2-3-8-27-18/h4-6,9-11,18H,2-3,7-8,22H2,1H3
InChIKeyJWDWPGPTAXJVMU-UHFFFAOYSA-N
XLogP4.55
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.85
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

[1-[(2S)-oxan-2-yl]indazol-4-yl]boronic acid
CID 125117039
[1-(oxan-2-yl)indazol-4-yl]boronic acid
CID 118993474
methyl 6-chloro-1-cyclopentylindazole-4-carboxylate
CID 67466686
2-methylsulfanyl-8-[1-(oxan-2-yl)indazol-4-yl]oxypyrido[3,4-d]pyrimidin-4-amine
CID 153418551
methyl 3-bromo-1-(oxan-2-yl)indazole-4-carboxylate
CID 72698240
methyl 2-(2-amino-3-pyridinyl)-5-methoxy-6-[5-methyl-1-(oxan-2-yl)indazol-4-yl]pyrimidine-4-carboxylate
CID 170346549
benzyl N-[[1-(oxan-2-yl)indazole-4-carbonyl]amino]carbamate
CID 155167792
2-fluoro-6-methoxyphenol;5-methyl-1-(oxan-2-yl)indazol-4-ol
CID 175183046
4-ethynyl-1-(oxan-2-yl)indazole
CID 155167654
4-chloro-1-[(2R)-oxan-2-yl]pyrazolo[4,5-c]pyridine
CID 129373246
6-ethyl-1-(oxan-2-yl)indazol-4-amine
CID 175161622
6-chloro-4-ethynyl-1-(oxan-2-yl)indazole
CID 134298715

Frequently Asked Questions

What is the IUPAC name of methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate?
The IUPAC name of methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate (CID 139345951) is methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate.
What is the SMILES notation for methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate?
The canonical SMILES for methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate is COC(=O)c1cc(Cl)cc(Oc2cccc3c2cnn3C2CCCCO2)c1N.
What is the InChIKey of methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate?
The InChIKey is JWDWPGPTAXJVMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20ClN3O4/c1-26-20(25)13-9-12(21)10-17(19(13)22)28-16-6-4-5-15-14(16)11-23-24(15)18-7-2-3-8-27-18/h4-6,9-11,18H,2-3,7-8,22H2,1H3.
What are the key properties of methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate?
methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate has a molecular weight of 401.85 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-amino-5-chloro-3-[1-(oxan-2-yl)indazol-4-yl]oxybenzoate is sourced from PubChem (CID 139345951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).