3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde

C26H29N5O4 — CID 165117525

About 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde

3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde (PubChem CID 165117525) has the molecular formula C26H29N5O4 and a molecular weight of 475.55 g/mol. Its IUPAC name is 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde.

Molecular Properties

• Compound Name: 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde
• PubChem CID: 165117525
• Molecular Formula: C26H29N5O4
• Molecular Weight: 475.55 g/mol
• Exact Mass: 475.22
• IUPAC Name: 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde
• SMILES: CCCc1cnc(OC2CN(C=O)C2)c2cnc(Nc3ccc4c(n3)C(C)C(C)(C)OC4=O)cc12
• InChI: InChI=1S/C26H29N5O4/c1-5-6-16-10-28-24(34-17-12-31(13-17)14-32)20-11-27-22(9-19(16)20)29-21-8-7-18-23(30-21)15(2)26(3,4)35-25(18)33/h7-11,14-15,17H,5-6,12-13H2,1-4H3,(H,27,29,30)
• InChIKey: IXDKXBXUHVYFJS-UHFFFAOYSA-N
• XLogP: 3.99
• TPSA: 106.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.55
LogP ≤ 5	3.99
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde?

The IUPAC name of 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde (CID 165117525) is 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde.

What is the SMILES notation for 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde?

The canonical SMILES for 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde is CCCc1cnc(OC2CN(C=O)C2)c2cnc(Nc3ccc4c(n3)C(C)C(C)(C)OC4=O)cc12.

What is the InChIKey of 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde?

The InChIKey is IXDKXBXUHVYFJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O4/c1-5-6-16-10-28-24(34-17-12-31(13-17)14-32)20-11-27-22(9-19(16)20)29-21-8-7-18-23(30-21)15(2)26(3,4)35-25(18)33/h7-11,14-15,17H,5-6,12-13H2,1-4H3,(H,27,29,30).

What are the key properties of 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde?

3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde has a molecular weight of 475.55 g/mol, XLogP of 3.99, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-propyl-6-[(7,7,8-trimethyl-5-oxo-8H-pyrano[4,3-b]pyridin-2-yl)amino]-2,7-naphthyridin-1-yl]oxy]azetidine-1-carbaldehyde is sourced from PubChem (CID 165117525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).