N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

C20H31F3N4O5 — CID 155827327

About N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid

N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (PubChem CID 155827327) has the molecular formula C20H31F3N4O5 and a molecular weight of 464.49 g/mol. Its IUPAC name is N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
• PubChem CID: 155827327
• Molecular Formula: C20H31F3N4O5
• Molecular Weight: 464.49 g/mol
• Exact Mass: 464.22
• IUPAC Name: N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid
• SMILES: CN(C)C(=O)COCC12CCCOC1CCN(Cc1cnn(C)c1)C2.O=C(O)C(F)(F)F
• InChI: InChI=1S/C18H30N4O3.C2HF3O2/c1-20(2)17(23)12-24-14-18-6-4-8-25-16(18)5-7-22(13-18)11-15-9-19-21(3)10-15;3-2(4,5)1(6)7/h9-10,16H,4-8,11-14H2,1-3H3;(H,6,7)
• InChIKey: ZSMSUZPFELLWIY-UHFFFAOYSA-N
• XLogP: 1.53
• TPSA: 97.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.49
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?

The IUPAC name of N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid (CID 155827327) is N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is CN(C)C(=O)COCC12CCCOC1CCN(Cc1cnn(C)c1)C2.O=C(O)C(F)(F)F.

What is the InChIKey of N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?

The InChIKey is ZSMSUZPFELLWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O3.C2HF3O2/c1-20(2)17(23)12-24-14-18-6-4-8-25-16(18)5-7-22(13-18)11-15-9-19-21(3)10-15;3-2(4,5)1(6)7/h9-10,16H,4-8,11-14H2,1-3H3;(H,6,7).

What are the key properties of N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid?

N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid has a molecular weight of 464.49 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N,N-dimethyl-2-[[6-[(1-methylpyrazol-4-yl)methyl]-3,4,5,7,8,8a-hexahydro-2H-pyrano[3,2-c]pyridin-4a-yl]methoxy]acetamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155827327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).