3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde

C32H35N5O2 — CID 156769359

About 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde

3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde (PubChem CID 156769359) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde.

Molecular Properties

• Compound Name: 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde
• PubChem CID: 156769359
• Molecular Formula: C32H35N5O2
• Molecular Weight: 521.67 g/mol
• Exact Mass: 521.28
• IUPAC Name: 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde
• SMILES: O=Cc1cccc(-c2cc3cnc(N4CCC(NCCc5ccccc5)CC4)nc3n(C3CCCC3)c2=O)c1
• InChI: InChI=1S/C32H35N5O2/c38-22-24-9-6-10-25(19-24)29-20-26-21-34-32(35-30(26)37(31(29)39)28-11-4-5-12-28)36-17-14-27(15-18-36)33-16-13-23-7-2-1-3-8-23/h1-3,6-10,19-22,27-28,33H,4-5,11-18H2
• InChIKey: LVKDXJJSKGQCIQ-UHFFFAOYSA-N
• XLogP: 5.19
• TPSA: 80.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.67
LogP ≤ 5	5.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde?

The IUPAC name of 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde (CID 156769359) is 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde.

What is the SMILES notation for 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde?

The canonical SMILES for 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde is O=Cc1cccc(-c2cc3cnc(N4CCC(NCCc5ccccc5)CC4)nc3n(C3CCCC3)c2=O)c1.

What is the InChIKey of 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde?

The InChIKey is LVKDXJJSKGQCIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c38-22-24-9-6-10-25(19-24)29-20-26-21-34-32(35-30(26)37(31(29)39)28-11-4-5-12-28)36-17-14-27(15-18-36)33-16-13-23-7-2-1-3-8-23/h1-3,6-10,19-22,27-28,33H,4-5,11-18H2.

What are the key properties of 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde?

3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde has a molecular weight of 521.67 g/mol, XLogP of 5.19, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[8-cyclopentyl-7-oxo-2-[4-(2-phenylethylamino)piperidin-1-yl]pyrido[2,3-d]pyrimidin-6-yl]benzaldehyde is sourced from PubChem (CID 156769359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).