(3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone

C15H11Cl2N3O2 — CID 110169763

IUPAC(3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone
SMILESCOc1ccc2c(N)n(C(=O)c3c(Cl)cccc3Cl)nc2c1
InChIInChI=1S/C15H11Cl2N3O2/c1-22-8-5-6-9-12(7-8)19-20(14(9)18)15(21)13-10(16)3-2-4-11(13)17/h2-7H,18H2,1H3
InChIKeyZHCBZMAQHSVGPU-UHFFFAOYSA-N
MW336.18 g/mol
LogP3.62
Rot. Bonds2

About (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone

(3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone (PubChem CID 110169763) has the molecular formula C15H11Cl2N3O2 and a molecular weight of 336.18 g/mol. Its IUPAC name is (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone.

Molecular Properties

Compound Name(3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone
PubChem CID110169763
Molecular FormulaC15H11Cl2N3O2
Molecular Weight336.18 g/mol
Exact Mass335.02
IUPAC Name(3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone
SMILESCOc1ccc2c(N)n(C(=O)c3c(Cl)cccc3Cl)nc2c1
InChIInChI=1S/C15H11Cl2N3O2/c1-22-8-5-6-9-12(7-8)19-20(14(9)18)15(21)13-10(16)3-2-4-11(13)17/h2-7H,18H2,1H3
InChIKeyZHCBZMAQHSVGPU-UHFFFAOYSA-N
XLogP3.62
TPSA70.14 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.18
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-5-methoxyphenyl)-2,6-dichlorobenzamide
CID 63257918
[1-(2,6-dichlorobenzoyl)-5-methoxyindazol-3-yl] 4-acetamidobenzenesulfonate
CID 110169691
[1-(2,6-dichlorobenzoyl)-5-methoxyindazol-3-yl] 2,5-dichlorobenzenesulfonate
CID 110169701
[5-amino-3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]-(2-chlorophenyl)methanone
CID 753286
3-(2,6-dichlorobenzoyl)-6-methoxy-1H-benzimidazol-2-one
CID 141405992
(2-amino-4-methoxyphenyl)-(2-chlorophenyl)methanone
CID 116602267
(2,6-dichlorophenyl)-(3,5-dimethoxyphenyl)methanone
CID 112694085
(2,6-dichlorophenyl)-(2-fluoro-4-methoxyphenyl)methanone
CID 43561133
2-chloro-6-(2-fluoro-5-methoxyphenyl)benzoic acid
CID 53226527
2-ethyl-6-methoxyindazole-3-carboxylic acid
CID 84724604
4-amino-7-methoxycinnoline-3-carboxamide
CID 13169389
(2-amino-5-methoxyphenyl)-(7-chloro-1-benzofuran-2-yl)methanone
CID 114737213

Frequently Asked Questions

What is the IUPAC name of (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone?
The IUPAC name of (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone (CID 110169763) is (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone.
What is the SMILES notation for (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone?
The canonical SMILES for (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone is COc1ccc2c(N)n(C(=O)c3c(Cl)cccc3Cl)nc2c1.
What is the InChIKey of (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone?
The InChIKey is ZHCBZMAQHSVGPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2N3O2/c1-22-8-5-6-9-12(7-8)19-20(14(9)18)15(21)13-10(16)3-2-4-11(13)17/h2-7H,18H2,1H3.
What are the key properties of (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone?
(3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone has a molecular weight of 336.18 g/mol, XLogP of 3.62, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-amino-6-methoxyindazol-2-yl)-(2,6-dichlorophenyl)methanone is sourced from PubChem (CID 110169763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).