2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone

C17H15N3O3 — CID 141242796

IUPAC2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone
SMILESCOc1ccccc1C(=O)n1nc(C(=O)CN)c2ccccc21
InChIInChI=1S/C17H15N3O3/c1-23-15-9-5-3-7-12(15)17(22)20-13-8-4-2-6-11(13)16(19-20)14(21)10-18/h2-9H,10,18H2,1H3
InChIKeyVPEVPLMPCXQIJB-UHFFFAOYSA-N
MW309.33 g/mol
LogP1.87
Rot. Bonds4

About 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone

2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone (PubChem CID 141242796) has the molecular formula C17H15N3O3 and a molecular weight of 309.33 g/mol. Its IUPAC name is 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone
PubChem CID141242796
Molecular FormulaC17H15N3O3
Molecular Weight309.33 g/mol
Exact Mass309.11
IUPAC Name2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone
SMILESCOc1ccccc1C(=O)n1nc(C(=O)CN)c2ccccc21
InChIInChI=1S/C17H15N3O3/c1-23-15-9-5-3-7-12(15)17(22)20-13-8-4-2-6-11(13)16(19-20)14(21)10-18/h2-9H,10,18H2,1H3
InChIKeyVPEVPLMPCXQIJB-UHFFFAOYSA-N
XLogP1.87
TPSA87.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethoxybenzoyl)-N-methylindazole-3-carboxamide
CID 174545779
1-(2-methoxybenzoyl)indole-3-carboxamide
CID 91690536
(2-fluoro-3-methoxyphenyl)-(1-methylindazol-3-yl)methanone
CID 103125146
2-[1-(2-methoxybenzoyl)pyrazolo[4,5-b]indol-4-yl]acetic acid
CID 146018170
1,3-bis(2-methoxyphenyl)propane-1,3-dione
CID 15664665
(5-amino-3-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701373
2-amino-1-(2-amino-3-methoxyphenyl)ethanone
CID 105438693
indol-1-yl-(2-methoxyphenyl)methanone
CID 39846486
N-(2-methoxyphenyl)-1-methylindazole-3-carboxamide
CID 110859879
5-(aminomethyl)-2-(2-methoxybenzoyl)-1H-pyrazol-3-one
CID 112536453
2,2,2-trifluoroethyl 1-benzoylindazole-3-carboxylate
CID 53357864
(3-amino-4-fluoropyrazol-1-yl)-(2-methoxyphenyl)methanone
CID 140701374

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone?
The IUPAC name of 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone (CID 141242796) is 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone.
What is the SMILES notation for 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone?
The canonical SMILES for 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone is COc1ccccc1C(=O)n1nc(C(=O)CN)c2ccccc21.
What is the InChIKey of 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone?
The InChIKey is VPEVPLMPCXQIJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3/c1-23-15-9-5-3-7-12(15)17(22)20-13-8-4-2-6-11(13)16(19-20)14(21)10-18/h2-9H,10,18H2,1H3.
What are the key properties of 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone?
2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone has a molecular weight of 309.33 g/mol, XLogP of 1.87, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[1-(2-methoxybenzoyl)indazol-3-yl]ethanone is sourced from PubChem (CID 141242796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).