N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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

C22H26F3N5O6 — CID 155865194

About N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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 155865194) has the molecular formula C22H26F3N5O6 and a molecular weight of 513.47 g/mol. Its IUPAC name is N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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: 155865194
• Molecular Formula: C22H26F3N5O6
• Molecular Weight: 513.47 g/mol
• Exact Mass: 513.18
• IUPAC Name: N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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: COCCn1ccc(C(=O)N2C[C@@H]3[C@H](CNC(=O)c4cccnc4)CO[C@@H]3C2)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C20H25N5O4.C2HF3O2/c1-28-8-7-25-6-4-17(23-25)20(27)24-11-16-15(13-29-18(16)12-24)10-22-19(26)14-3-2-5-21-9-14;3-2(4,5)1(6)7/h2-6,9,15-16,18H,7-8,10-13H2,1H3,(H,22,26);(H,6,7)/t15-,16-,18-;/m1./s1
• InChIKey: CVTCKTWTYDTEJQ-XWDHPKFSSA-N
• XLogP: 1.07
• TPSA: 135.88 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.47
LogP ≤ 5	1.07
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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 155865194) is N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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 COCCn1ccc(C(=O)N2C[C@@H]3[C@H](CNC(=O)c4cccnc4)CO[C@@H]3C2)n1.O=C(O)C(F)(F)F.

What is the InChIKey of N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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 CVTCKTWTYDTEJQ-XWDHPKFSSA-N. The full InChI is InChI=1S/C20H25N5O4.C2HF3O2/c1-28-8-7-25-6-4-17(23-25)20(27)24-11-16-15(13-29-18(16)12-24)10-22-19(26)14-3-2-5-21-9-14;3-2(4,5)1(6)7/h2-6,9,15-16,18H,7-8,10-13H2,1H3,(H,22,26);(H,6,7)/t15-,16-,18-;/m1./s1.

What are the key properties of N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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 513.47 g/mol, XLogP of 1.07, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(3R,3aS,6aS)-5-[1-(2-methoxyethyl)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 155865194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).