5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid

C21H23N3O5 — CID 154803106

IUPAC5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid
SMILESCOc1cc(CNc2ccc3[nH]nc(C(=O)O)c3c2)ccc1OCC1CCCO1
InChIInChI=1S/C21H23N3O5/c1-27-19-9-13(4-7-18(19)29-12-15-3-2-8-28-15)11-22-14-5-6-17-16(10-14)20(21(25)26)24-23-17/h4-7,9-10,15,22H,2-3,8,11-12H2,1H3,(H,23,24)(H,25,26)
InChIKeyIEQAVIVYJKFFMF-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.44
Rot. Bonds8

About 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid

5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid (PubChem CID 154803106) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid
PubChem CID154803106
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid
SMILESCOc1cc(CNc2ccc3[nH]nc(C(=O)O)c3c2)ccc1OCC1CCCO1
InChIInChI=1S/C21H23N3O5/c1-27-19-9-13(4-7-18(19)29-12-15-3-2-8-28-15)11-22-14-5-6-17-16(10-14)20(21(25)26)24-23-17/h4-7,9-10,15,22H,2-3,8,11-12H2,1H3,(H,23,24)(H,25,26)
InChIKeyIEQAVIVYJKFFMF-UHFFFAOYSA-N
XLogP3.44
TPSA105.70 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 46466581
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-2-(2-methoxyphenyl)acetamide
CID 51726174
3-cyclopentyl-N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]propanamide
CID 51728001
1-cyclohexyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]methanamine
CID 54804211
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-propylsulfanylacetamide
CID 55839780
N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]-2-methylquinoline-4-carboxamide
CID 55708234
N-[[3-methoxy-4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]pyrazine-2-carboxamide
CID 94025634
2-(4-tert-butylphenyl)sulfanyl-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]acetamide
CID 55707193
N-[[3-methoxy-4-(oxan-2-ylmethoxy)phenyl]methyl]propan-2-amine
CID 43591754
3-(3,4-dimethoxyphenyl)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]prop-2-enamide
CID 55708051
2-(4-fluorophenoxy)-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]propanamide
CID 46469803
2,5-difluoro-N-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methyl]benzamide
CID 42961589

Frequently Asked Questions

What is the IUPAC name of 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid (CID 154803106) is 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid is COc1cc(CNc2ccc3[nH]nc(C(=O)O)c3c2)ccc1OCC1CCCO1.
What is the InChIKey of 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid?
The InChIKey is IEQAVIVYJKFFMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-27-19-9-13(4-7-18(19)29-12-15-3-2-8-28-15)11-22-14-5-6-17-16(10-14)20(21(25)26)24-23-17/h4-7,9-10,15,22H,2-3,8,11-12H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid?
5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid has a molecular weight of 397.43 g/mol, XLogP of 3.44, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[3-methoxy-4-(oxolan-2-ylmethoxy)phenyl]methylamino]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 154803106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).