methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate

C20H21N3O4 — CID 130229588

IUPACmethyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate
SMILESCOC(=O)c1nn(C(C)(C)C(N)=O)c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H21N3O4/c1-20(2,19(21)25)23-16-11-14(27-12-13-7-5-4-6-8-13)9-10-15(16)17(22-23)18(24)26-3/h4-11H,12H2,1-3H3,(H2,21,25)
InChIKeyUEBIQSNAYBLTGX-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.62
Rot. Bonds6

About methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate

methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate (PubChem CID 130229588) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate.

Molecular Properties

Compound Namemethyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate
PubChem CID130229588
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Namemethyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate
SMILESCOC(=O)c1nn(C(C)(C)C(N)=O)c2cc(OCc3ccccc3)ccc12
InChIInChI=1S/C20H21N3O4/c1-20(2,19(21)25)23-16-11-14(27-12-13-7-5-4-6-8-13)9-10-15(16)17(22-23)18(24)26-3/h4-11H,12H2,1-3H3,(H2,21,25)
InChIKeyUEBIQSNAYBLTGX-UHFFFAOYSA-N
XLogP2.62
TPSA96.44 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 1-[2-chloro-5-fluoro-4-(methylsulfonylcarbamoyl)phenyl]-6-phenylmethoxyindazole-3-carboxylate
CID 122458775
methyl 6-phenylmethoxyindole-1-carboxylate
CID 11448893
methyl 2-methyl-4-phenylmethoxybenzoate
CID 21194710
methyl 6-phenylmethoxy-1H-indole-3-carboxylate
CID 57455165
dimethyl 5-phenylmethoxybenzene-1,3-dicarboxylate
CID 7643390
dimethyl 6-phenylmethoxyquinoline-2,4-dicarboxylate
CID 10991740
methyl 7-phenylmethoxypyrido[1,2-a]indole-10-carboxylate
CID 66667117
(3-oxo-6-phenylmethoxy-2H-indazol-1-yl) 2,2-dimethylpropanoate
CID 174635299
methyl 1-(3,5-diethoxyphenyl)-4-oxo-7-phenylmethoxyquinoline-3-carboxylate
CID 139963868
3-methoxy-1-methyl-4,7-bis(phenylmethoxy)quinolin-2-one
CID 139718000
methyl 3-methoxy-7-phenylmethoxynaphthalene-2-carboxylate
CID 54308363
methyl 3-acetamido-1-methyl-5-phenylmethoxyindole-2-carboxylate
CID 4777725

Frequently Asked Questions

What is the IUPAC name of methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate?
The IUPAC name of methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate (CID 130229588) is methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate.
What is the SMILES notation for methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate?
The canonical SMILES for methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate is COC(=O)c1nn(C(C)(C)C(N)=O)c2cc(OCc3ccccc3)ccc12.
What is the InChIKey of methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate?
The InChIKey is UEBIQSNAYBLTGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-20(2,19(21)25)23-16-11-14(27-12-13-7-5-4-6-8-13)9-10-15(16)17(22-23)18(24)26-3/h4-11H,12H2,1-3H3,(H2,21,25).
What are the key properties of methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate?
methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate has a molecular weight of 367.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(1-amino-2-methyl-1-oxopropan-2-yl)-6-phenylmethoxyindazole-3-carboxylate is sourced from PubChem (CID 130229588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).