6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid

C18H13N5O2 — CID 118664727

IUPAC6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)c1
InChIInChI=1S/C18H13N5O2/c19-14-6-13(8-20-10-14)11-4-5-12-9-21-23(16(12)7-11)17-3-1-2-15(22-17)18(24)25/h1-10H,19H2,(H,24,25)
InChIKeyZXJDTOZDQQWRMF-UHFFFAOYSA-N
MW331.34 g/mol
LogP2.76
Rot. Bonds3

About 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid

6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid (PubChem CID 118664727) has the molecular formula C18H13N5O2 and a molecular weight of 331.34 g/mol. Its IUPAC name is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid
PubChem CID118664727
Molecular FormulaC18H13N5O2
Molecular Weight331.34 g/mol
Exact Mass331.11
IUPAC Name6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid
SMILESNc1cncc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)c1
InChIInChI=1S/C18H13N5O2/c19-14-6-13(8-20-10-14)11-4-5-12-9-21-23(16(12)7-11)17-3-1-2-15(22-17)18(24)25/h1-10H,19H2,(H,24,25)
InChIKeyZXJDTOZDQQWRMF-UHFFFAOYSA-N
XLogP2.76
TPSA106.92 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.34
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid (CID 118664727) is 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid is Nc1cncc(-c2ccc3cnn(-c4cccc(C(=O)O)n4)c3c2)c1.
What is the InChIKey of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid?
The InChIKey is ZXJDTOZDQQWRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13N5O2/c19-14-6-13(8-20-10-14)11-4-5-12-9-21-23(16(12)7-11)17-3-1-2-15(22-17)18(24)25/h1-10H,19H2,(H,24,25).
What are the key properties of 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid?
6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid has a molecular weight of 331.34 g/mol, XLogP of 2.76, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(5-amino-3-pyridinyl)indazol-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 118664727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).