6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one

C105H81N11OS — CID 159600996

About 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one

6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one (PubChem CID 159600996) has the molecular formula C105H81N11OS and a molecular weight of 1544.95 g/mol. Its IUPAC name is 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one.

Molecular Properties

• Compound Name: 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
• PubChem CID: 159600996
• Molecular Formula: C105H81N11OS
• Molecular Weight: 1544.95 g/mol
• Exact Mass: 1543.63
• IUPAC Name: 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one
• SMILES: CC1=CCc2cc(-c3ncccc3-c3ccncc3)ccc21.O=C1CCc2cc(-c3ncccc3-c3ccncc3)ccc21.c1cnc(-c2ccc3c(c2)CCC3)c(-c2ccc3nccnc3c2)c1.c1cnc(-c2ccc3c(c2)CCC3)c(-c2ccc3ncsc3c2)c1.c1cnc(-c2ccc3c(c2)CCC3)c(-c2ccnc3ccccc23)c1
• InChI: InChI=1S/C23H18N2.C22H17N3.C21H16N2S.C20H16N2.C19H14N2O/c1-2-9-22-20(7-1)19(12-14-24-22)21-8-4-13-25-23(21)18-11-10-16-5-3-6-17(16)15-18;1-3-15-6-7-18(13-16(15)4-1)22-19(5-2-10-25-22)17-8-9-20-21(14-17)24-12-11-23-20;1-3-14-6-7-17(11-15(14)4-1)21-18(5-2-10-22-21)16-8-9-19-20(12-16)24-13-23-19;1-14-4-5-16-13-17(6-7-18(14)16)20-19(3-2-10-22-20)15-8-11-21-12-9-15;22-18-6-4-14-12-15(3-5-16(14)18)19-17(2-1-9-21-19)13-7-10-20-11-8-13/h1-2,4,7-15H,3,5-6H2;2,5-14H,1,3-4H2;2,5-13H,1,3-4H2;2-4,6-13H,5H2,1H3;1-3,5,7-12H,4,6H2
• InChIKey: MLMBXNJDBXHVTL-UHFFFAOYSA-N
• XLogP: 24.52
• TPSA: 158.86 Ų
• H-Bond Acceptors: 13
• Rotatable Bonds: 10
• Heavy Atoms: 118
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1544.95
LogP ≤ 5	24.52
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one?

The IUPAC name of 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one (CID 159600996) is 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one.

What is the SMILES notation for 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one?

The canonical SMILES for 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one is CC1=CCc2cc(-c3ncccc3-c3ccncc3)ccc21.O=C1CCc2cc(-c3ncccc3-c3ccncc3)ccc21.c1cnc(-c2ccc3c(c2)CCC3)c(-c2ccc3nccnc3c2)c1.c1cnc(-c2ccc3c(c2)CCC3)c(-c2ccc3ncsc3c2)c1.c1cnc(-c2ccc3c(c2)CCC3)c(-c2ccnc3ccccc23)c1.

What is the InChIKey of 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one?

The InChIKey is MLMBXNJDBXHVTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2.C22H17N3.C21H16N2S.C20H16N2.C19H14N2O/c1-2-9-22-20(7-1)19(12-14-24-22)21-8-4-13-25-23(21)18-11-10-16-5-3-6-17(16)15-18;1-3-15-6-7-18(13-16(15)4-1)22-19(5-2-10-25-22)17-8-9-20-21(14-17)24-12-11-23-20;1-3-14-6-7-17(11-15(14)4-1)21-18(5-2-10-22-21)16-8-9-19-20(12-16)24-13-23-19;1-14-4-5-16-13-17(6-7-18(14)16)20-19(3-2-10-22-20)15-8-11-21-12-9-15;22-18-6-4-14-12-15(3-5-16(14)18)19-17(2-1-9-21-19)13-7-10-20-11-8-13/h1-2,4,7-15H,3,5-6H2;2,5-14H,1,3-4H2;2,5-13H,1,3-4H2;2-4,6-13H,5H2,1H3;1-3,5,7-12H,4,6H2.

What are the key properties of 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one?

6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one has a molecular weight of 1544.95 g/mol, XLogP of 24.52, 10 rotatable bonds, 0 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]-1,3-benzothiazole;4-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoline;6-[2-(2,3-dihydro-1H-inden-5-yl)-3-pyridinyl]quinoxaline;2-(1-methyl-3H-inden-5-yl)-3-pyridin-4-ylpyridine;5-(3-pyridin-4-yl-2-pyridinyl)-2,3-dihydroinden-1-one is sourced from PubChem (CID 159600996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).