N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

C22H24F3N5O5 — CID 155863393

About N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid

N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 155863393) has the molecular formula C22H24F3N5O5 and a molecular weight of 495.46 g/mol. Its IUPAC name is N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155863393
• Molecular Formula: C22H24F3N5O5
• Molecular Weight: 495.46 g/mol
• Exact Mass: 495.17
• IUPAC Name: N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]12)c1cccnc1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H23N5O3.C2HF3O2/c26-19(12-3-2-6-21-7-12)22-8-13-11-28-17-10-25(9-15(13)17)20(27)18-14-4-1-5-16(14)23-24-18;3-2(4,5)1(6)7/h2-3,6-7,13,15,17H,1,4-5,8-11H2,(H,22,26)(H,23,24);(H,6,7)/t13-,15+,17+;/m0./s1
• InChIKey: YYZKAYOMZICJBC-IVMONYBCSA-N
• XLogP: 1.44
• TPSA: 137.51 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.46
LogP ≤ 5	1.44
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid (CID 155863393) is N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is O=C(NC[C@H]1CO[C@@H]2CN(C(=O)c3n[nH]c4c3CCC4)C[C@H]12)c1cccnc1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is YYZKAYOMZICJBC-IVMONYBCSA-N. The full InChI is InChI=1S/C20H23N5O3.C2HF3O2/c26-19(12-3-2-6-21-7-12)22-8-13-11-28-17-10-25(9-15(13)17)20(27)18-14-4-1-5-16(14)23-24-18;3-2(4,5)1(6)7/h2-3,6-7,13,15,17H,1,4-5,8-11H2,(H,22,26)(H,23,24);(H,6,7)/t13-,15+,17+;/m0./s1.

What are the key properties of N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid?

N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 495.46 g/mol, XLogP of 1.44, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3S,3aS,6aS)-5-(1,4,5,6-tetrahydrocyclopenta[d]pyrazole-3-carbonyl)-2,3,3a,4,6,6a-hexahydrofuro[2,3-c]pyrrol-3-yl]methyl]pyridine-3-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155863393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).