2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid

C25H31N5O4 — CID 146462298

About 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid

2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid (PubChem CID 146462298) has the molecular formula C25H31N5O4 and a molecular weight of 465.55 g/mol. Its IUPAC name is 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid.

Molecular Properties

• Compound Name: 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid
• PubChem CID: 146462298
• Molecular Formula: C25H31N5O4
• Molecular Weight: 465.55 g/mol
• Exact Mass: 465.24
• IUPAC Name: 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid
• SMILES: Cn1ncc2c(C(=O)NC(CCCCOCCc3ccc4c(n3)NCCC4)C(=O)O)cccc21
• InChI: InChI=1S/C25H31N5O4/c1-30-22-9-4-7-19(20(22)16-27-30)24(31)29-21(25(32)33)8-2-3-14-34-15-12-18-11-10-17-6-5-13-26-23(17)28-18/h4,7,9-11,16,21H,2-3,5-6,8,12-15H2,1H3,(H,26,28)(H,29,31)(H,32,33)
• InChIKey: NMAYEJUARMKEBE-UHFFFAOYSA-N
• XLogP: 2.94
• TPSA: 118.37 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 11
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	465.55
LogP ≤ 5	2.94
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid?

The IUPAC name of 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid (CID 146462298) is 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid.

What is the SMILES notation for 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid?

The canonical SMILES for 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid is Cn1ncc2c(C(=O)NC(CCCCOCCc3ccc4c(n3)NCCC4)C(=O)O)cccc21.

What is the InChIKey of 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid?

The InChIKey is NMAYEJUARMKEBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O4/c1-30-22-9-4-7-19(20(22)16-27-30)24(31)29-21(25(32)33)8-2-3-14-34-15-12-18-11-10-17-6-5-13-26-23(17)28-18/h4,7,9-11,16,21H,2-3,5-6,8,12-15H2,1H3,(H,26,28)(H,29,31)(H,32,33).

What are the key properties of 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid?

2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid has a molecular weight of 465.55 g/mol, XLogP of 2.94, 11 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(1-methylindazole-4-carbonyl)amino]-6-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethoxy]hexanoic acid is sourced from PubChem (CID 146462298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).