methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate

C15H19N3O3 — CID 137484746

IUPACmethyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2CC2CCOC2)c(N)c1C
InChIInChI=1S/C15H19N3O3/c1-9-11(15(19)20-2)5-13-12(14(9)16)6-17-18(13)7-10-3-4-21-8-10/h5-6,10H,3-4,7-8,16H2,1-2H3
InChIKeySWLZJTOYFFPCAT-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.75
Rot. Bonds3

About methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate

methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate (PubChem CID 137484746) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate
PubChem CID137484746
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Namemethyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate
SMILESCOC(=O)c1cc2c(cnn2CC2CCOC2)c(N)c1C
InChIInChI=1S/C15H19N3O3/c1-9-11(15(19)20-2)5-13-12(14(9)16)6-17-18(13)7-10-3-4-21-8-10/h5-6,10H,3-4,7-8,16H2,1-2H3
InChIKeySWLZJTOYFFPCAT-UHFFFAOYSA-N
XLogP1.75
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Methyl 1-methyl-1H-indazole-6-carboxylate
CID 22598983
1-cyclopentyl-6-[4-[3-(dimethylamino)propoxymethyl]phenyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 77464447
ethyl 1-[(2R)-3-[(1R,5S)-3-(cyclopropylmethoxy)-8-azabicyclo[3.2.1]octan-8-yl]-2-methylpropyl]indazole-6-carboxylate
CID 117610369
Methyl 5-ethyl-4-[ethyl-[4-(3-methoxyazetidin-1-yl)cyclohexyl]amino]-1-methylindazole-6-carboxylate
CID 137484866
Methyl 4-[1,4-dioxaspiro[4.5]decan-8-yl(ethyl)amino]-1,5-dimethylindazole-6-carboxylate
CID 154623696
Methyl 4-[ethyl-[4-methyl-4-(phenylmethoxycarbonylamino)cyclohexyl]amino]-1,5-dimethylindazole-6-carboxylate
CID 154623703
Methyl 4-[ethyl-(1-phenylmethoxycarbonylpiperidin-4-yl)amino]-1,5-dimethylindazole-6-carboxylate
CID 154623710
1-cyclopentyl-6-[3-(dimethylamino)propoxymethyl]-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]indazole-4-carboxamide
CID 77465672
1-cyclopentyl-N-[(4,6-dimethyl-2-oxo-3H-pyridin-3-yl)methyl]-6-(2-methoxyethoxymethyl)indazole-4-carboxamide
CID 77465806
methyl 1-(oxan-2-yl)-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indazole-4-carboxylate
CID 178243148
[1-Benzyl-3(ethoxycarbonylphenyl)-indazole]
CID 53898680
Methyl 1-(tetrahydro-2H-pyran-2-YL)-1H-indazole-5-carboxylate
CID 129013603

Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate?
The IUPAC name of methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate (CID 137484746) is methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate.
What is the SMILES notation for methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate?
The canonical SMILES for methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate is COC(=O)c1cc2c(cnn2CC2CCOC2)c(N)c1C.
What is the InChIKey of methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate?
The InChIKey is SWLZJTOYFFPCAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9-11(15(19)20-2)5-13-12(14(9)16)6-17-18(13)7-10-3-4-21-8-10/h5-6,10H,3-4,7-8,16H2,1-2H3.
What are the key properties of methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate?
methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate has a molecular weight of 289.34 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-methyl-1-(oxolan-3-ylmethyl)indazole-6-carboxylate is sourced from PubChem (CID 137484746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).