2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one

C26H26Cl2N4O2 — CID 134130676

IUPAC2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCC(c3c[nH]c4ccccc34)CC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H26Cl2N4O2/c27-22-7-6-19(16-23(22)28)32-26(33)9-8-25(30-32)34-15-3-12-31-13-10-18(11-14-31)21-17-29-24-5-2-1-4-20(21)24/h1-2,4-9,16-18,29H,3,10-15H2
InChIKeyZRVZATYGLCRTSU-UHFFFAOYSA-N
MW497.43 g/mol
LogP5.67
Rot. Bonds7

About 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one

2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one (PubChem CID 134130676) has the molecular formula C26H26Cl2N4O2 and a molecular weight of 497.43 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one
PubChem CID134130676
Molecular FormulaC26H26Cl2N4O2
Molecular Weight497.43 g/mol
Exact Mass496.14
IUPAC Name2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one
SMILESO=c1ccc(OCCCN2CCC(c3c[nH]c4ccccc34)CC2)nn1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C26H26Cl2N4O2/c27-22-7-6-19(16-23(22)28)32-26(33)9-8-25(30-32)34-15-3-12-31-13-10-18(11-14-31)21-17-29-24-5-2-1-4-20(21)24/h1-2,4-9,16-18,29H,3,10-15H2
InChIKeyZRVZATYGLCRTSU-UHFFFAOYSA-N
XLogP5.67
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.43
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one?
The IUPAC name of 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one (CID 134130676) is 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one?
The canonical SMILES for 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one is O=c1ccc(OCCCN2CCC(c3c[nH]c4ccccc34)CC2)nn1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one?
The InChIKey is ZRVZATYGLCRTSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26Cl2N4O2/c27-22-7-6-19(16-23(22)28)32-26(33)9-8-25(30-32)34-15-3-12-31-13-10-18(11-14-31)21-17-29-24-5-2-1-4-20(21)24/h1-2,4-9,16-18,29H,3,10-15H2.
What are the key properties of 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one?
2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one has a molecular weight of 497.43 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-6-[3-[4-(1H-indol-3-yl)piperidin-1-yl]propoxy]pyridazin-3-one is sourced from PubChem (CID 134130676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).