5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one

C131H107N19O6 — CID 163491602

About 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one

5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one (PubChem CID 163491602) has the molecular formula C131H107N19O6 and a molecular weight of 2043.42 g/mol. Its IUPAC name is 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one.

Molecular Properties

• Compound Name: 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
• PubChem CID: 163491602
• Molecular Formula: C131H107N19O6
• Molecular Weight: 2043.42 g/mol
• Exact Mass: 2041.87
• IUPAC Name: 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one
• SMILES: O=C1Cc2cc(-c3ccc(CCc4cccc5ccccc45)nn3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccc5ccccc5c4)nc3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4cccc5ccccc45)nc3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccccn4)nc3)ccc2N1
• InChI: InChI=1S/3C24H19N3O.2C20H17N3O.C19H16N4O/c28-24-15-19-14-18(9-12-22(19)25-24)23-13-11-20(26-27-23)10-8-17-6-3-5-16-4-1-2-7-21(16)17;28-24-13-19-12-18(8-10-22(19)27-24)20-14-25-23(26-15-20)11-9-17-6-3-5-16-4-1-2-7-21(16)17;28-24-13-20-12-19(8-9-22(20)27-24)21-14-25-23(26-15-21)10-6-16-5-7-17-3-1-2-4-18(17)11-16;2*24-20-11-16-10-15(7-8-18(16)23-20)17-12-21-19(22-13-17)9-6-14-4-2-1-3-5-14;24-19-10-14-9-13(4-6-17(14)23-19)15-11-21-18(22-12-15)7-5-16-3-1-2-8-20-16/h1-7,9,11-14H,8,10,15H2,(H,25,28);1-8,10,12,14-15H,9,11,13H2,(H,27,28);1-5,7-9,11-12,14-15H,6,10,13H2,(H,27,28);2*1-5,7-8,10,12-13H,6,9,11H2,(H,23,24);1-4,6,8-9,11-12H,5,7,10H2,(H,23,24)
• InChIKey: CNCUMYYNKKDYHZ-UHFFFAOYSA-N
• XLogP: 23.40
• TPSA: 342.17 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 19
• Rotatable Bonds: 24
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2043.42
LogP ≤ 5	23.40
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?

The IUPAC name of 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one (CID 163491602) is 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one.

What is the SMILES notation for 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?

The canonical SMILES for 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3ccc(CCc4cccc5ccccc45)nn3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccc5ccccc5c4)nc3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4cccc5ccccc45)nc3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccccc4)nc3)ccc2N1.O=C1Cc2cc(-c3cnc(CCc4ccccn4)nc3)ccc2N1.

What is the InChIKey of 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?

The InChIKey is CNCUMYYNKKDYHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/3C24H19N3O.2C20H17N3O.C19H16N4O/c28-24-15-19-14-18(9-12-22(19)25-24)23-13-11-20(26-27-23)10-8-17-6-3-5-16-4-1-2-7-21(16)17;28-24-13-19-12-18(8-10-22(19)27-24)20-14-25-23(26-15-20)11-9-17-6-3-5-16-4-1-2-7-21(16)17;28-24-13-20-12-19(8-9-22(20)27-24)21-14-25-23(26-15-21)10-6-16-5-7-17-3-1-2-4-18(17)11-16;2*24-20-11-16-10-15(7-8-18(16)23-20)17-12-21-19(22-13-17)9-6-14-4-2-1-3-5-14;24-19-10-14-9-13(4-6-17(14)23-19)15-11-21-18(22-12-15)7-5-16-3-1-2-8-20-16/h1-7,9,11-14H,8,10,15H2,(H,25,28);1-8,10,12,14-15H,9,11,13H2,(H,27,28);1-5,7-9,11-12,14-15H,6,10,13H2,(H,27,28);2*1-5,7-8,10,12-13H,6,9,11H2,(H,23,24);1-4,6,8-9,11-12H,5,7,10H2,(H,23,24).

What are the key properties of 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one?

5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one has a molecular weight of 2043.42 g/mol, XLogP of 23.40, 24 rotatable bonds, 6 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[6-(2-naphthalen-1-ylethyl)pyridazin-3-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-1-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;5-[2-(2-naphthalen-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one;bis(5-[2-(2-phenylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one);5-[2-(2-pyridin-2-ylethyl)pyrimidin-5-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 163491602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).