3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid

C21H19N5O2 — CID 118663896

IUPAC3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C(N)CC(=O)O)n4)cc32)n1
InChIInChI=1S/C21H19N5O2/c1-13-4-2-7-20(24-13)26-19-10-14(8-9-15(19)12-23-26)17-5-3-6-18(25-17)16(22)11-21(27)28/h2-10,12,16H,11,22H2,1H3,(H,27,28)
InChIKeyFTWHDCXFHZTUID-UHFFFAOYSA-N
MW373.42 g/mol
LogP3.27
Rot. Bonds5

About 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid

3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid (PubChem CID 118663896) has the molecular formula C21H19N5O2 and a molecular weight of 373.42 g/mol. Its IUPAC name is 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid.

Molecular Properties

Compound Name3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
PubChem CID118663896
Molecular FormulaC21H19N5O2
Molecular Weight373.42 g/mol
Exact Mass373.15
IUPAC Name3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid
SMILESCc1cccc(-n2ncc3ccc(-c4cccc(C(N)CC(=O)O)n4)cc32)n1
InChIInChI=1S/C21H19N5O2/c1-13-4-2-7-20(24-13)26-19-10-14(8-9-15(19)12-23-26)17-5-3-6-18(25-17)16(22)11-21(27)28/h2-10,12,16H,11,22H2,1H3,(H,27,28)
InChIKeyFTWHDCXFHZTUID-UHFFFAOYSA-N
XLogP3.27
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.42
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid?
The IUPAC name of 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid (CID 118663896) is 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid.
What is the SMILES notation for 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid?
The canonical SMILES for 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid is Cc1cccc(-n2ncc3ccc(-c4cccc(C(N)CC(=O)O)n4)cc32)n1.
What is the InChIKey of 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid?
The InChIKey is FTWHDCXFHZTUID-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2/c1-13-4-2-7-20(24-13)26-19-10-14(8-9-15(19)12-23-26)17-5-3-6-18(25-17)16(22)11-21(27)28/h2-10,12,16H,11,22H2,1H3,(H,27,28).
What are the key properties of 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid?
3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid has a molecular weight of 373.42 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-[6-[1-(6-methyl-2-pyridinyl)indazol-6-yl]-2-pyridinyl]propanoic acid is sourced from PubChem (CID 118663896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).