2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile

C76H77F6N9O2 — CID 159097342

About 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile

2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile (PubChem CID 159097342) has the molecular formula C76H77F6N9O2 and a molecular weight of 1262.50 g/mol. Its IUPAC name is 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile.

Molecular Properties

• Compound Name: 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
• PubChem CID: 159097342
• Molecular Formula: C76H77F6N9O2
• Molecular Weight: 1262.50 g/mol
• Exact Mass: 1261.61
• IUPAC Name: 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile
• SMILES: Cc1nc2c(c(C)c1C#N)C=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2.Cc1nc2c(c(C)c1C#N)C=C(C(C)(c1c(C)c(C)c(C)c3c1ccn3C)C(F)(F)F)C2.Cc1nc2c(c(C)c1C#N)C=C(C(O)(c1c(C)c(C)c(C)c3c1ccn3C)C(F)(F)F)C2
• InChI: InChI=1S/C26H26F3N3.C25H24F3N3O.C25H27N3O/c1-13-14(2)23(19-8-9-32(7)24(19)15(13)3)25(6,26(27,28)29)18-10-20-16(4)21(12-30)17(5)31-22(20)11-18;1-12-13(2)22(18-7-8-31(6)23(18)14(12)3)24(32,25(26,27)28)17-9-19-15(4)20(11-29)16(5)30-21(19)10-17;1-13-14(2)23(19-8-9-28(7)24(19)15(13)3)25(6,29)18-10-20-16(4)21(12-26)17(5)27-22(20)11-18/h8-10H,11H2,1-7H3;7-9,32H,10H2,1-6H3;8-10,29H,11H2,1-7H3
• InChIKey: KCVIIIOXAODDQK-UHFFFAOYSA-N
• XLogP: 16.66
• TPSA: 165.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 6
• Heavy Atoms: 93
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1262.50
LogP ≤ 5	16.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?

The IUPAC name of 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile (CID 159097342) is 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile.

What is the SMILES notation for 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?

The canonical SMILES for 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile is Cc1nc2c(c(C)c1C#N)C=C(C(C)(O)c1c(C)c(C)c(C)c3c1ccn3C)C2.Cc1nc2c(c(C)c1C#N)C=C(C(C)(c1c(C)c(C)c(C)c3c1ccn3C)C(F)(F)F)C2.Cc1nc2c(c(C)c1C#N)C=C(C(O)(c1c(C)c(C)c(C)c3c1ccn3C)C(F)(F)F)C2.

What is the InChIKey of 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?

The InChIKey is KCVIIIOXAODDQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N3.C25H24F3N3O.C25H27N3O/c1-13-14(2)23(19-8-9-32(7)24(19)15(13)3)25(6,26(27,28)29)18-10-20-16(4)21(12-30)17(5)31-22(20)11-18;1-12-13(2)22(18-7-8-31(6)23(18)14(12)3)24(32,25(26,27)28)17-9-19-15(4)20(11-29)16(5)30-21(19)10-17;1-13-14(2)23(19-8-9-28(7)24(19)15(13)3)25(6,29)18-10-20-16(4)21(12-26)17(5)27-22(20)11-18/h8-10H,11H2,1-7H3;7-9,32H,10H2,1-6H3;8-10,29H,11H2,1-7H3.

What are the key properties of 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile?

2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile has a molecular weight of 1262.50 g/mol, XLogP of 16.66, 6 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 2,4-dimethyl-6-[2,2,2-trifluoro-1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-7H-cyclopenta[b]pyridine-3-carbonitrile;2,4-dimethyl-6-[1,1,1-trifluoro-2-(1,5,6,7-tetramethylindol-4-yl)propan-2-yl]-7H-cyclopenta[b]pyridine-3-carbonitrile;6-[1-hydroxy-1-(1,5,6,7-tetramethylindol-4-yl)ethyl]-2,4-dimethyl-7H-cyclopenta[b]pyridine-3-carbonitrile is sourced from PubChem (CID 159097342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).