1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde

C25H31N5O2 — CID 174684606

About 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde

1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde (PubChem CID 174684606) has the molecular formula C25H31N5O2 and a molecular weight of 433.56 g/mol. Its IUPAC name is 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde.

Molecular Properties

• Compound Name: 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde
• PubChem CID: 174684606
• Molecular Formula: C25H31N5O2
• Molecular Weight: 433.56 g/mol
• Exact Mass: 433.25
• IUPAC Name: 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde
• SMILES: Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(C)CCC3C=O)nc2)CC1
• InChI: InChI=1S/C25H31N5O2/c1-17-13-21(19-4-5-19)15-27-24(17)28-9-11-29(12-10-28)25(32)20-6-8-23(26-14-20)30-18(2)3-7-22(30)16-31/h6,8,13-16,18-19,22H,3-5,7,9-12H2,1-2H3
• InChIKey: WBCDILDZAKWQFN-UHFFFAOYSA-N
• XLogP: 3.18
• TPSA: 69.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.56
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde?

The IUPAC name of 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde (CID 174684606) is 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde.

What is the SMILES notation for 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde?

The canonical SMILES for 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde is Cc1cc(C2CC2)cnc1N1CCN(C(=O)c2ccc(N3C(C)CCC3C=O)nc2)CC1.

What is the InChIKey of 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde?

The InChIKey is WBCDILDZAKWQFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O2/c1-17-13-21(19-4-5-19)15-27-24(17)28-9-11-29(12-10-28)25(32)20-6-8-23(26-14-20)30-18(2)3-7-22(30)16-31/h6,8,13-16,18-19,22H,3-5,7,9-12H2,1-2H3.

What are the key properties of 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde?

1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde has a molecular weight of 433.56 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[4-(5-cyclopropyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-2-pyridinyl]-5-methylpyrrolidine-2-carbaldehyde is sourced from PubChem (CID 174684606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).