1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

C30H32F3N5O5S — CID 175911750

About 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid

1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (PubChem CID 175911750) has the molecular formula C30H32F3N5O5S and a molecular weight of 631.68 g/mol. Its IUPAC name is 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

Molecular Properties

• Compound Name: 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
• PubChem CID: 175911750
• Molecular Formula: C30H32F3N5O5S
• Molecular Weight: 631.68 g/mol
• Exact Mass: 631.21
• IUPAC Name: 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid
• SMILES: Cc1cc(C)c(N2CCC(C(N)=O)CC2)c(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)n1.O=C(O)C(F)(F)F
• InChI: InChI=1S/C28H31N5O3S.C2HF3O2/c1-14-11-15(2)31-22(23(14)32-9-6-16(7-10-32)25(29)34)18-5-8-30-19-12-17(37-24(18)19)13-33-26(35)20-21(27(33)36)28(20,3)4;3-2(4,5)1(6)7/h5,8,11-12,16,20-21H,6-7,9-10,13H2,1-4H3,(H2,29,34);(H,6,7)
• InChIKey: AAEWQZYNUUNDGM-UHFFFAOYSA-N
• XLogP: 4.45
• TPSA: 146.79 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	631.68
LogP ≤ 5	4.45
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

The IUPAC name of 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid (CID 175911750) is 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid.

What is the SMILES notation for 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

The canonical SMILES for 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is Cc1cc(C)c(N2CCC(C(N)=O)CC2)c(-c2ccnc3cc(CN4C(=O)C5C(C4=O)C5(C)C)sc23)n1.O=C(O)C(F)(F)F.

What is the InChIKey of 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

The InChIKey is AAEWQZYNUUNDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N5O3S.C2HF3O2/c1-14-11-15(2)31-22(23(14)32-9-6-16(7-10-32)25(29)34)18-5-8-30-19-12-17(37-24(18)19)13-33-26(35)20-21(27(33)36)28(20,3)4;3-2(4,5)1(6)7/h5,8,11-12,16,20-21H,6-7,9-10,13H2,1-4H3,(H2,29,34);(H,6,7).

What are the key properties of 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid?

1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid has a molecular weight of 631.68 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[2-[(6,6-dimethyl-2,4-dioxo-3-azabicyclo[3.1.0]hexan-3-yl)methyl]thieno[3,2-b]pyridin-7-yl]-4,6-dimethyl-3-pyridinyl]piperidine-4-carboxamide;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 175911750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).