2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one

C107H86N30O9S2 — CID 158811494

IUPAC2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccn2)nn1CCn1ccc2ccccc21.O=c1ccc(-c2ccccn2)nn1CCn1cnc2ccccc21.O=c1ccc(-c2ccccn2)nn1CCn1ncc2ccccc21.O=c1ccc(-c2ccccn2)nn1Cc1cnco1.O=c1ccc(-c2ccccn2)nn1Cc1cncs1.O=c1ccc(-c2ccccn2)nn1Cc1ncco1.O=c1ccc(-c2ccccn2)nn1Cc1nccs1
InChIInChI=1S/C19H16N4O.2C18H15N5O.2C13H10N4O2.2C13H10N4OS/c24-19-9-8-17(16-6-3-4-11-20-16)21-23(19)14-13-22-12-10-15-5-1-2-7-18(15)22;24-18-9-8-15(14-5-3-4-10-19-14)21-23(18)12-11-22-13-20-16-6-1-2-7-17(16)22;24-18-9-8-16(15-6-3-4-10-19-15)21-23(18)12-11-22-17-7-2-1-5-14(17)13-20-22;18-13-5-4-12(11-3-1-2-6-15-11)16-17(13)8-10-7-14-9-19-10;18-13-5-4-11(10-3-1-2-6-14-10)16-17(13)9-12-15-7-8-19-12;18-13-5-4-12(11-3-1-2-6-15-11)16-17(13)8-10-7-14-9-19-10;18-13-5-4-11(10-3-1-2-6-14-10)16-17(13)9-12-15-7-8-19-12/h1-12H,13-14H2;2*1-10,13H,11-12H2;1-7,9H,8H2;1-8H,9H2;1-7,9H,8H2;1-8H,9H2
InChIKeyIUTAVWFYEGTHOD-UHFFFAOYSA-N
MW2000.20 g/mol
LogP13.97
Rot. Bonds24

About 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one

2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one (PubChem CID 158811494) has the molecular formula C107H86N30O9S2 and a molecular weight of 2000.20 g/mol. Its IUPAC name is 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
PubChem CID158811494
Molecular FormulaC107H86N30O9S2
Molecular Weight2000.20 g/mol
Exact Mass1998.66
IUPAC Name2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccccn2)nn1CCn1ccc2ccccc21.O=c1ccc(-c2ccccn2)nn1CCn1cnc2ccccc21.O=c1ccc(-c2ccccn2)nn1CCn1ncc2ccccc21.O=c1ccc(-c2ccccn2)nn1Cc1cnco1.O=c1ccc(-c2ccccn2)nn1Cc1cncs1.O=c1ccc(-c2ccccn2)nn1Cc1ncco1.O=c1ccc(-c2ccccn2)nn1Cc1nccs1
InChIInChI=1S/C19H16N4O.2C18H15N5O.2C13H10N4O2.2C13H10N4OS/c24-19-9-8-17(16-6-3-4-11-20-16)21-23(19)14-13-22-12-10-15-5-1-2-7-18(15)22;24-18-9-8-15(14-5-3-4-10-19-14)21-23(18)12-11-22-13-20-16-6-1-2-7-17(16)22;24-18-9-8-16(15-6-3-4-10-19-15)21-23(18)12-11-22-17-7-2-1-5-14(17)13-20-22;18-13-5-4-12(11-3-1-2-6-15-11)16-17(13)8-10-7-14-9-19-10;18-13-5-4-11(10-3-1-2-6-14-10)16-17(13)9-12-15-7-8-19-12;18-13-5-4-12(11-3-1-2-6-15-11)16-17(13)8-10-7-14-9-19-10;18-13-5-4-11(10-3-1-2-6-14-10)16-17(13)9-12-15-7-8-19-12/h1-12H,13-14H2;2*1-10,13H,11-12H2;1-7,9H,8H2;1-8H,9H2;1-7,9H,8H2;1-8H,9H2
InChIKeyIUTAVWFYEGTHOD-UHFFFAOYSA-N
XLogP13.97
TPSA452.87 Ų
H-Bond Donors
H-Bond Acceptors41
Rotatable Bonds24
Heavy Atoms148
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002000.20
LogP ≤ 513.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1041

Analyze 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
The IUPAC name of 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one (CID 158811494) is 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one.
What is the SMILES notation for 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
The canonical SMILES for 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one is O=c1ccc(-c2ccccn2)nn1CCn1ccc2ccccc21.O=c1ccc(-c2ccccn2)nn1CCn1cnc2ccccc21.O=c1ccc(-c2ccccn2)nn1CCn1ncc2ccccc21.O=c1ccc(-c2ccccn2)nn1Cc1cnco1.O=c1ccc(-c2ccccn2)nn1Cc1cncs1.O=c1ccc(-c2ccccn2)nn1Cc1ncco1.O=c1ccc(-c2ccccn2)nn1Cc1nccs1.
What is the InChIKey of 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
The InChIKey is IUTAVWFYEGTHOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O.2C18H15N5O.2C13H10N4O2.2C13H10N4OS/c24-19-9-8-17(16-6-3-4-11-20-16)21-23(19)14-13-22-12-10-15-5-1-2-7-18(15)22;24-18-9-8-15(14-5-3-4-10-19-14)21-23(18)12-11-22-13-20-16-6-1-2-7-17(16)22;24-18-9-8-16(15-6-3-4-10-19-15)21-23(18)12-11-22-17-7-2-1-5-14(17)13-20-22;18-13-5-4-12(11-3-1-2-6-15-11)16-17(13)8-10-7-14-9-19-10;18-13-5-4-11(10-3-1-2-6-14-10)16-17(13)9-12-15-7-8-19-12;18-13-5-4-12(11-3-1-2-6-15-11)16-17(13)8-10-7-14-9-19-10;18-13-5-4-11(10-3-1-2-6-14-10)16-17(13)9-12-15-7-8-19-12/h1-12H,13-14H2;2*1-10,13H,11-12H2;1-7,9H,8H2;1-8H,9H2;1-7,9H,8H2;1-8H,9H2.
What are the key properties of 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one?
2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one has a molecular weight of 2000.20 g/mol, XLogP of 13.97, 24 rotatable bonds, 0 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(benzimidazol-1-yl)ethyl]-6-pyridin-2-ylpyridazin-3-one;2-(2-indazol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(2-indol-1-ylethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-2-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;2-(1,3-oxazol-5-ylmethyl)-6-pyridin-2-ylpyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-2-ylmethyl)pyridazin-3-one;6-pyridin-2-yl-2-(1,3-thiazol-5-ylmethyl)pyridazin-3-one is sourced from PubChem (CID 158811494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).