N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid

C22H30N8O4S — CID 118661932

About N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid

N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid (PubChem CID 118661932) has the molecular formula C22H30N8O4S and a molecular weight of 502.60 g/mol. Its IUPAC name is N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid.

Molecular Properties

• Compound Name: N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid
• PubChem CID: 118661932
• Molecular Formula: C22H30N8O4S
• Molecular Weight: 502.60 g/mol
• Exact Mass: 502.21
• IUPAC Name: N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid
• SMILES: CC(C)n1cnc2cnc(Nc3ccnc(N4CCC(N5CCCS5(=O)=O)CC4)n3)cc21.O=CO
• InChI: InChI=1S/C21H28N8O2S.CH2O2/c1-15(2)28-14-24-17-13-23-20(12-18(17)28)25-19-4-7-22-21(26-19)27-9-5-16(6-10-27)29-8-3-11-32(29,30)31;2-1-3/h4,7,12-16H,3,5-6,8-11H2,1-2H3,(H,22,23,25,26);1H,(H,2,3)
• InChIKey: IRIRJSVHFNBMKH-UHFFFAOYSA-N
• XLogP: 2.25
• TPSA: 146.44 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	502.60
LogP ≤ 5	2.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid?

The IUPAC name of N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid (CID 118661932) is N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid.

What is the SMILES notation for N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid?

The canonical SMILES for N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid is CC(C)n1cnc2cnc(Nc3ccnc(N4CCC(N5CCCS5(=O)=O)CC4)n3)cc21.O=CO.

What is the InChIKey of N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid?

The InChIKey is IRIRJSVHFNBMKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N8O2S.CH2O2/c1-15(2)28-14-24-17-13-23-20(12-18(17)28)25-19-4-7-22-21(26-19)27-9-5-16(6-10-27)29-8-3-11-32(29,30)31;2-1-3/h4,7,12-16H,3,5-6,8-11H2,1-2H3,(H,22,23,25,26);1H,(H,2,3).

What are the key properties of N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid?

N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid has a molecular weight of 502.60 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)piperidin-1-yl]pyrimidin-4-yl]-1-propan-2-ylimidazo[4,5-c]pyridin-6-amine;formic acid is sourced from PubChem (CID 118661932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).