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

C24H29F3N4O2 — CID 71119073

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

6-[4-(cyclopropanecarbonyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71119073) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 6-[4-(cyclopropanecarbonyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 6-[4-(cyclopropanecarbonyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 71119073
• Molecular Formula: C24H29F3N4O2
• Molecular Weight: 462.52 g/mol
• Exact Mass: 462.22
• IUPAC Name: 6-[4-(cyclopropanecarbonyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC1(C)Cc2c(C#N)c(N3CCN(C(=O)C4CC4)C(CC(F)(F)F)C3)nc(C3CC3)c2CO1
• InChI: InChI=1S/C24H29F3N4O2/c1-23(2)10-17-18(11-28)21(29-20(14-3-4-14)19(17)13-33-23)30-7-8-31(22(32)15-5-6-15)16(12-30)9-24(25,26)27/h14-16H,3-10,12-13H2,1-2H3
• InChIKey: HDPQLIHORKEGMI-UHFFFAOYSA-N
• XLogP: 4.06
• TPSA: 69.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.52
LogP ≤ 5	4.06
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[4-(cyclopropanecarbonyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71119073) is 6-[4-(cyclopropanecarbonyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

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

The canonical SMILES for 6-[4-(cyclopropanecarbonyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is CC1(C)Cc2c(C#N)c(N3CCN(C(=O)C4CC4)C(CC(F)(F)F)C3)nc(C3CC3)c2CO1.

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

The InChIKey is HDPQLIHORKEGMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29F3N4O2/c1-23(2)10-17-18(11-28)21(29-20(14-3-4-14)19(17)13-33-23)30-7-8-31(22(32)15-5-6-15)16(12-30)9-24(25,26)27/h14-16H,3-10,12-13H2,1-2H3.

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

6-[4-(cyclopropanecarbonyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile has a molecular weight of 462.52 g/mol, XLogP of 4.06, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[4-(cyclopropanecarbonyl)-3-(2,2,2-trifluoroethyl)piperazin-1-yl]-8-cyclopropyl-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71119073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).