5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid

C18H20N4O3 — CID 155907492

IUPAC5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid
SMILESCCCOc1ncccc1CN(C)c1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C18H20N4O3/c1-3-9-25-17-12(5-4-8-19-17)11-22(2)13-6-7-15-14(10-13)16(18(23)24)21-20-15/h4-8,10H,3,9,11H2,1-2H3,(H,20,21)(H,23,24)
InChIKeyRVGJIJTWOILHDF-UHFFFAOYSA-N
MW340.38 g/mol
LogP3.08
Rot. Bonds7

About 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid

5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid (PubChem CID 155907492) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid
PubChem CID155907492
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid
SMILESCCCOc1ncccc1CN(C)c1ccc2[nH]nc(C(=O)O)c2c1
InChIInChI=1S/C18H20N4O3/c1-3-9-25-17-12(5-4-8-19-17)11-22(2)13-6-7-15-14(10-13)16(18(23)24)21-20-15/h4-8,10H,3,9,11H2,1-2H3,(H,20,21)(H,23,24)
InChIKeyRVGJIJTWOILHDF-UHFFFAOYSA-N
XLogP3.08
TPSA91.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-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

Frequently Asked Questions

What is the IUPAC name of 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid?
The IUPAC name of 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid (CID 155907492) is 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid.
What is the SMILES notation for 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid?
The canonical SMILES for 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid is CCCOc1ncccc1CN(C)c1ccc2[nH]nc(C(=O)O)c2c1.
What is the InChIKey of 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid?
The InChIKey is RVGJIJTWOILHDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-3-9-25-17-12(5-4-8-19-17)11-22(2)13-6-7-15-14(10-13)16(18(23)24)21-20-15/h4-8,10H,3,9,11H2,1-2H3,(H,20,21)(H,23,24).
What are the key properties of 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid?
5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 3.08, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[methyl-[(2-propoxy-3-pyridinyl)methyl]amino]-1H-indazole-3-carboxylic acid is sourced from PubChem (CID 155907492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).