N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C24H25FN8O2 — CID 170677790

About N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 170677790) has the molecular formula C24H25FN8O2 and a molecular weight of 476.52 g/mol. Its IUPAC name is N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 170677790
• Molecular Formula: C24H25FN8O2
• Molecular Weight: 476.52 g/mol
• Exact Mass: 476.21
• IUPAC Name: N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: CNc1ncc(-c2nc3ccc(N4CCOC(C)C4)c(F)n3n2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C24H25FN8O2/c1-13-12-32(7-8-35-13)18-5-6-20-30-23(31-33(20)21(18)25)17-11-28-22(26-2)16-10-27-19(9-15(16)17)29-24(34)14-3-4-14/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H,26,28)(H,27,29,34)
• InChIKey: HYZOESNUBKOSPC-UHFFFAOYSA-N
• XLogP: 3.09
• TPSA: 109.57 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	476.52
LogP ≤ 5	3.09
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 170677790) is N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CNc1ncc(-c2nc3ccc(N4CCOC(C)C4)c(F)n3n2)c2cc(NC(=O)C3CC3)ncc12.

What is the InChIKey of N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

The InChIKey is HYZOESNUBKOSPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25FN8O2/c1-13-12-32(7-8-35-13)18-5-6-20-30-23(31-33(20)21(18)25)17-11-28-22(26-2)16-10-27-19(9-15(16)17)29-24(34)14-3-4-14/h5-6,9-11,13-14H,3-4,7-8,12H2,1-2H3,(H,26,28)(H,27,29,34).

What are the key properties of N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide?

N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 476.52 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-fluoro-6-(2-methylmorpholin-4-yl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-8-(methylamino)-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 170677790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).