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

C24H29F3N4O2 — CID 71118902

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

8-cyclopropyl-6-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (PubChem CID 71118902) has the molecular formula C24H29F3N4O2 and a molecular weight of 462.52 g/mol. Its IUPAC name is 8-cyclopropyl-6-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

Molecular Properties

• Compound Name: 8-cyclopropyl-6-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• PubChem CID: 71118902
• Molecular Formula: C24H29F3N4O2
• Molecular Weight: 462.52 g/mol
• Exact Mass: 462.22
• IUPAC Name: 8-cyclopropyl-6-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile
• SMILES: CC1(C)Cc2c(C#N)c(N3CCN(C(=O)CC(F)(F)F)C(C4CC4)C3)nc(C3CC3)c2CO1
• InChI: InChI=1S/C24H29F3N4O2/c1-23(2)9-16-17(11-28)22(29-21(15-5-6-15)18(16)13-33-23)30-7-8-31(19(12-30)14-3-4-14)20(32)10-24(25,26)27/h14-15,19H,3-10,12-13H2,1-2H3
• InChIKey: AANLLHGDLJWDBB-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 8-cyclopropyl-6-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile?

The IUPAC name of 8-cyclopropyl-6-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile (CID 71118902) is 8-cyclopropyl-6-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile.

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

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

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

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

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

8-cyclopropyl-6-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-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 8-cyclopropyl-6-[3-cyclopropyl-4-(3,3,3-trifluoropropanoyl)piperazin-1-yl]-3,3-dimethyl-1,4-dihydropyrano[3,4-c]pyridine-5-carbonitrile is sourced from PubChem (CID 71118902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).