2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid

C15H19N3O4 — CID 146135984

IUPAC2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid
SMILESCOc1ccc2c(NC(=O)C(C(=O)O)C(C)(C)C)n[nH]c2c1
InChIInChI=1S/C15H19N3O4/c1-15(2,3)11(14(20)21)13(19)16-12-9-6-5-8(22-4)7-10(9)17-18-12/h5-7,11H,1-4H3,(H,20,21)(H2,16,17,18,19)
InChIKeyJOWIMPLPURSXKP-UHFFFAOYSA-N
MW305.33 g/mol
LogP2.26
Rot. Bonds4

About 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid

2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid (PubChem CID 146135984) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid.

Molecular Properties

Compound Name2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid
PubChem CID146135984
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid
SMILESCOc1ccc2c(NC(=O)C(C(=O)O)C(C)(C)C)n[nH]c2c1
InChIInChI=1S/C15H19N3O4/c1-15(2,3)11(14(20)21)13(19)16-12-9-6-5-8(22-4)7-10(9)17-18-12/h5-7,11H,1-4H3,(H,20,21)(H2,16,17,18,19)
InChIKeyJOWIMPLPURSXKP-UHFFFAOYSA-N
XLogP2.26
TPSA104.31 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-[(2,5-dimethoxyphenyl)carbamoyl]-3,3-dimethylbutanoic acid
CID 116536593
1-[6-(4-methoxyphenyl)-1H-indazol-3-yl]-3-propan-2-ylurea
CID 69070012
N-[6-(3-acetylphenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69060568
2-methyl-N-(6-phenyl-1H-indazol-3-yl)butanamide
CID 69062252
N-(2-hydroxypropyl)-6-methoxy-1H-indazole-3-carboxamide
CID 110469569
1-(cyclopropylmethyl)-3-[6-(4-methoxyphenyl)-1H-indazol-3-yl]urea
CID 69061513
N-[6-(2,5-dimethoxyphenyl)-1H-indazol-3-yl]-3-fluorobenzamide
CID 69064975
1-(1H-indazol-3-yl)-3-(4-methoxyphenyl)urea
CID 25197519
6-methoxy-N-propyl-1H-indazole-3-carboxamide
CID 110469559
N-[6-(3-fluorophenyl)-1H-indazol-3-yl]-2,4-dimethoxybenzamide
CID 69063264
N-[6-(2,4-dimethoxyphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065277
N-[6-(3-methoxyphenyl)-1H-indazol-3-yl]pyrrolidine-1-carboxamide
CID 69069520

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid?
The IUPAC name of 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid (CID 146135984) is 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid.
What is the SMILES notation for 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid?
The canonical SMILES for 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid is COc1ccc2c(NC(=O)C(C(=O)O)C(C)(C)C)n[nH]c2c1.
What is the InChIKey of 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid?
The InChIKey is JOWIMPLPURSXKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-15(2,3)11(14(20)21)13(19)16-12-9-6-5-8(22-4)7-10(9)17-18-12/h5-7,11H,1-4H3,(H,20,21)(H2,16,17,18,19).
What are the key properties of 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid?
2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid has a molecular weight of 305.33 g/mol, XLogP of 2.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methoxy-1H-indazol-3-yl)carbamoyl]-3,3-dimethylbutanoic acid is sourced from PubChem (CID 146135984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).