8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

C23H26F6N4O2 — CID 89304756

About 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile

8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 89304756) has the molecular formula C23H26F6N4O2 and a molecular weight of 504.48 g/mol. Its IUPAC name is 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 89304756
• Molecular Formula: C23H26F6N4O2
• Molecular Weight: 504.48 g/mol
• Exact Mass: 504.20
• IUPAC Name: 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC1(C)Cc2c(C#N)c(N3CCN(C(=O)CC(F)(F)F)C(CC(F)(F)F)C3)nc(C3CC3)c2CO1
• InChI: InChI=1S/C23H26F6N4O2/c1-21(2)8-15-16(10-30)20(31-19(13-3-4-13)17(15)12-35-21)32-5-6-33(18(34)9-23(27,28)29)14(11-32)7-22(24,25)26/h13-14H,3-9,11-12H2,1-2H3
• InChIKey: LHFNPUQZUZUTGC-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 69.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.48
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The IUPAC name of 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 89304756) is 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

What is the SMILES notation for 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The canonical SMILES for 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(N3CCN(C(=O)CC(F)(F)F)C(CC(F)(F)F)C3)nc(C3CC3)c2CO1.

What is the InChIKey of 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The InChIKey is LHFNPUQZUZUTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26F6N4O2/c1-21(2)8-15-16(10-30)20(31-19(13-3-4-13)17(15)12-35-21)32-5-6-33(18(34)9-23(27,28)29)14(11-32)7-22(24,25)26/h13-14H,3-9,11-12H2,1-2H3.

What are the key properties of 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 504.48 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 8-cyclopropyl-3,3-dimethyl-6-[3-(2,2,2-trifluoroethyl)-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 89304756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).