3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde

C30H38N6O3 — CID 145290437

About 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde

3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde (PubChem CID 145290437) has the molecular formula C30H38N6O3 and a molecular weight of 530.67 g/mol. Its IUPAC name is 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde.

Molecular Properties

• Compound Name: 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde
• PubChem CID: 145290437
• Molecular Formula: C30H38N6O3
• Molecular Weight: 530.67 g/mol
• Exact Mass: 530.30
• IUPAC Name: 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde
• SMILES: O=Cc1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1
• InChI: InChI=1S/C30H38N6O3/c37-20-23-18-27(35-10-5-24(6-11-35)34-12-16-39-17-13-34)28-29(22-2-1-3-22)33-36(30(28)32-23)25-4-9-31-26(19-25)21-7-14-38-15-8-21/h4,9,18-22,24H,1-3,5-8,10-17H2
• InChIKey: QZLAKGAUWQZUCA-UHFFFAOYSA-N
• XLogP: 4.09
• TPSA: 85.61 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	530.67
LogP ≤ 5	4.09
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde?

The IUPAC name of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde (CID 145290437) is 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde.

What is the SMILES notation for 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde?

The canonical SMILES for 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde is O=Cc1cc(N2CCC(N3CCOCC3)CC2)c2c(C3CCC3)nn(-c3ccnc(C4CCOCC4)c3)c2n1.

What is the InChIKey of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde?

The InChIKey is QZLAKGAUWQZUCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3/c37-20-23-18-27(35-10-5-24(6-11-35)34-12-16-39-17-13-34)28-29(22-2-1-3-22)33-36(30(28)32-23)25-4-9-31-26(19-25)21-7-14-38-15-8-21/h4,9,18-22,24H,1-3,5-8,10-17H2.

What are the key properties of 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde?

3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde has a molecular weight of 530.67 g/mol, XLogP of 4.09, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 3-cyclobutyl-4-(4-morpholin-4-ylpiperidin-1-yl)-1-[2-(oxan-4-yl)-4-pyridinyl]pyrazolo[3,4-b]pyridine-6-carbaldehyde is sourced from PubChem (CID 145290437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).