6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid

C21H19N5O2 — CID 118663582

IUPAC6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid
SMILESCc1cccc(-n2ncc3c(C(=O)O)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C21H19N5O2/c1-12-5-3-8-20(24-12)26-19-10-14(9-15(21(27)28)16(19)11-23-26)18-7-4-6-17(25-18)13(2)22/h3-11,13H,22H2,1-2H3,(H,27,28)
InChIKeyFWWABMGGSKRNRN-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.51
Rot. Bonds4

About 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid

6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid (PubChem CID 118663582) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid.

Molecular Properties

Compound Name6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid
PubChem CID118663582
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid
SMILESCc1cccc(-n2ncc3c(C(=O)O)cc(-c4cccc(C(C)N)n4)cc32)n1
InChIInChI=1S/C21H19N5O2/c1-12-5-3-8-20(24-12)26-19-10-14(9-15(21(27)28)16(19)11-23-26)18-7-4-6-17(25-18)13(2)22/h3-11,13H,22H2,1-2H3,(H,27,28)
InChIKeyFWWABMGGSKRNRN-UHFFFAOYSA-N
XLogP3.51
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-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 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid?
The IUPAC name of 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid (CID 118663582) is 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid.
What is the SMILES notation for 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid?
The canonical SMILES for 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid is Cc1cccc(-n2ncc3c(C(=O)O)cc(-c4cccc(C(C)N)n4)cc32)n1.
What is the InChIKey of 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid?
The InChIKey is FWWABMGGSKRNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-12-5-3-8-20(24-12)26-19-10-14(9-15(21(27)28)16(19)11-23-26)18-7-4-6-17(25-18)13(2)22/h3-11,13H,22H2,1-2H3,(H,27,28).
What are the key properties of 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid?
6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid has a molecular weight of 373.42 g/mol, XLogP of 3.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(1-aminoethyl)-2-pyridinyl]-1-(6-methyl-2-pyridinyl)indazole-4-carboxylic acid is sourced from PubChem (CID 118663582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).