1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone

C19H14N4O — CID 118663664

IUPAC1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4ccccn4)c3c2)n1
InChIInChI=1S/C19H14N4O/c1-13(24)16-5-4-6-17(22-16)14-8-9-15-12-21-23(18(15)11-14)19-7-2-3-10-20-19/h2-12H,1H3
InChIKeyKKSUHIZRDOTEFN-UHFFFAOYSA-N
MW314.35 g/mol
LogP3.69
Rot. Bonds3

About 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone

1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone (PubChem CID 118663664) has the molecular formula C19H14N4O and a molecular weight of 314.35 g/mol. Its IUPAC name is 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone.

Molecular Properties

Compound Name1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone
PubChem CID118663664
Molecular FormulaC19H14N4O
Molecular Weight314.35 g/mol
Exact Mass314.12
IUPAC Name1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone
SMILESCC(=O)c1cccc(-c2ccc3cnn(-c4ccccn4)c3c2)n1
InChIInChI=1S/C19H14N4O/c1-13(24)16-5-4-6-17(22-16)14-8-9-15-12-21-23(18(15)11-14)19-7-2-3-10-20-19/h2-12H,1H3
InChIKeyKKSUHIZRDOTEFN-UHFFFAOYSA-N
XLogP3.69
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 53.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone?
The IUPAC name of 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone (CID 118663664) is 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone.
What is the SMILES notation for 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone?
The canonical SMILES for 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone is CC(=O)c1cccc(-c2ccc3cnn(-c4ccccn4)c3c2)n1.
What is the InChIKey of 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone?
The InChIKey is KKSUHIZRDOTEFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N4O/c1-13(24)16-5-4-6-17(22-16)14-8-9-15-12-21-23(18(15)11-14)19-7-2-3-10-20-19/h2-12H,1H3.
What are the key properties of 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone?
1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone has a molecular weight of 314.35 g/mol, XLogP of 3.69, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(1-pyridin-2-ylindazol-6-yl)-2-pyridinyl]ethanone is sourced from PubChem (CID 118663664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).