[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid

C21H23F3N4O5 — CID 155830188

About [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid

[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid (PubChem CID 155830188) has the molecular formula C21H23F3N4O5 and a molecular weight of 468.43 g/mol. Its IUPAC name is [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
• PubChem CID: 155830188
• Molecular Formula: C21H23F3N4O5
• Molecular Weight: 468.43 g/mol
• Exact Mass: 468.16
• IUPAC Name: [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid
• SMILES: O=C(O)C(F)(F)F.O=C(c1ccncc1)N1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1
• InChI: InChI=1S/C19H22N4O3.C2HF3O2/c24-19(13-3-6-20-7-4-13)23-8-5-15-14(10-23)11-25-16(15)9-17-21-22-18(26-17)12-1-2-12;3-2(4,5)1(6)7/h3-4,6-7,12,14-16H,1-2,5,8-11H2;(H,6,7)/t14-,15-,16+;/m1./s1
• InChIKey: UQQWCWSIMTVQQY-IFKKJYDISA-N
• XLogP: 2.70
• TPSA: 118.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.43
LogP ≤ 5	2.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The IUPAC name of [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid (CID 155830188) is [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid.

What is the SMILES notation for [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The canonical SMILES for [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.O=C(c1ccncc1)N1CC[C@@H]2[C@@H](CO[C@H]2Cc2nnc(C3CC3)o2)C1.

What is the InChIKey of [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid?

The InChIKey is UQQWCWSIMTVQQY-IFKKJYDISA-N. The full InChI is InChI=1S/C19H22N4O3.C2HF3O2/c24-19(13-3-6-20-7-4-13)23-8-5-15-14(10-23)11-25-16(15)9-17-21-22-18(26-17)12-1-2-12;3-2(4,5)1(6)7/h3-4,6-7,12,14-16H,1-2,5,8-11H2;(H,6,7)/t14-,15-,16+;/m1./s1.

What are the key properties of [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid?

[(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid has a molecular weight of 468.43 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for [(1S,3aR,7aR)-1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-3,3a,4,6,7,7a-hexahydro-1H-furo[3,4-c]pyridin-5-yl]-pyridin-4-ylmethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155830188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).