1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone

C15H14N4O — CID 116605215

IUPAC1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccc(N)cn2)c2ccccc21
InChIInChI=1S/C15H14N4O/c1-19-14-5-3-2-4-11(14)13(18-19)8-15(20)12-7-6-10(16)9-17-12/h2-7,9H,8,16H2,1H3
InChIKeyRIEFQPYCFPYBGV-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.98
Rot. Bonds3

About 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone

1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone (PubChem CID 116605215) has the molecular formula C15H14N4O and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
PubChem CID116605215
Molecular FormulaC15H14N4O
Molecular Weight266.30 g/mol
Exact Mass266.12
IUPAC Name1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone
SMILESCn1nc(CC(=O)c2ccc(N)cn2)c2ccccc21
InChIInChI=1S/C15H14N4O/c1-19-14-5-3-2-4-11(14)13(18-19)8-15(20)12-7-6-10(16)9-17-12/h2-7,9H,8,16H2,1H3
InChIKeyRIEFQPYCFPYBGV-UHFFFAOYSA-N
XLogP1.98
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone?
The IUPAC name of 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone (CID 116605215) is 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone.
What is the SMILES notation for 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone?
The canonical SMILES for 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone is Cn1nc(CC(=O)c2ccc(N)cn2)c2ccccc21.
What is the InChIKey of 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone?
The InChIKey is RIEFQPYCFPYBGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4O/c1-19-14-5-3-2-4-11(14)13(18-19)8-15(20)12-7-6-10(16)9-17-12/h2-7,9H,8,16H2,1H3.
What are the key properties of 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone?
1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-pyridinyl)-2-(1-methylindazol-3-yl)ethanone is sourced from PubChem (CID 116605215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).