2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid

C25H25N5O3 — CID 69489254

IUPAC2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid
SMILESO=C(O)n1c(-c2cc(-c3ccncc3)n[nH]c2=O)cc2ccc(CCC3CCCCN3)cc21
InChIInChI=1S/C25H25N5O3/c31-24-20(15-21(28-29-24)17-8-11-26-12-9-17)23-14-18-6-4-16(13-22(18)30(23)25(32)33)5-7-19-3-1-2-10-27-19/h4,6,8-9,11-15,19,27H,1-3,5,7,10H2,(H,29,31)(H,32,33)
InChIKeyJPMZDSXKZUFSHR-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.05
Rot. Bonds5

About 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid

2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid (PubChem CID 69489254) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid.

Molecular Properties

Compound Name2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid
PubChem CID69489254
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Name2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid
SMILESO=C(O)n1c(-c2cc(-c3ccncc3)n[nH]c2=O)cc2ccc(CCC3CCCCN3)cc21
InChIInChI=1S/C25H25N5O3/c31-24-20(15-21(28-29-24)17-8-11-26-12-9-17)23-14-18-6-4-16(13-22(18)30(23)25(32)33)5-7-19-3-1-2-10-27-19/h4,6,8-9,11-15,19,27H,1-3,5,7,10H2,(H,29,31)(H,32,33)
InChIKeyJPMZDSXKZUFSHR-UHFFFAOYSA-N
XLogP4.05
TPSA112.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid?
The IUPAC name of 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid (CID 69489254) is 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid.
What is the SMILES notation for 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid?
The canonical SMILES for 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid is O=C(O)n1c(-c2cc(-c3ccncc3)n[nH]c2=O)cc2ccc(CCC3CCCCN3)cc21.
What is the InChIKey of 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid?
The InChIKey is JPMZDSXKZUFSHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c31-24-20(15-21(28-29-24)17-8-11-26-12-9-17)23-14-18-6-4-16(13-22(18)30(23)25(32)33)5-7-19-3-1-2-10-27-19/h4,6,8-9,11-15,19,27H,1-3,5,7,10H2,(H,29,31)(H,32,33).
What are the key properties of 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid?
2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid has a molecular weight of 443.51 g/mol, XLogP of 4.05, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxo-3-pyridin-4-yl-1H-pyridazin-5-yl)-6-(2-piperidin-2-ylethyl)indole-1-carboxylic acid is sourced from PubChem (CID 69489254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).