N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

C25H24F3N7O2 — CID 178122767

About N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide

N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 178122767) has the molecular formula C25H24F3N7O2 and a molecular weight of 511.51 g/mol. Its IUPAC name is N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• PubChem CID: 178122767
• Molecular Formula: C25H24F3N7O2
• Molecular Weight: 511.51 g/mol
• Exact Mass: 511.19
• IUPAC Name: N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide
• SMILES: CCc1ncc(-c2nc3ccc(N4CCOC(C(F)(F)F)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12
• InChI: InChI=1S/C25H24F3N7O2/c1-2-19-17-10-30-21(31-24(36)14-3-4-14)9-16(17)18(11-29-19)23-32-22-6-5-15(12-35(22)33-23)34-7-8-37-20(13-34)25(26,27)28/h5-6,9-12,14,20H,2-4,7-8,13H2,1H3,(H,30,31,36)
• InChIKey: GIRNERVGYFHGJG-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 97.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	511.51
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide (CID 178122767) is N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide.

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

The canonical SMILES for N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is CCc1ncc(-c2nc3ccc(N4CCOC(C(F)(F)F)C4)cn3n2)c2cc(NC(=O)C3CC3)ncc12.

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

The InChIKey is GIRNERVGYFHGJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N7O2/c1-2-19-17-10-30-21(31-24(36)14-3-4-14)9-16(17)18(11-29-19)23-32-22-6-5-15(12-35(22)33-23)34-7-8-37-20(13-34)25(26,27)28/h5-6,9-12,14,20H,2-4,7-8,13H2,1H3,(H,30,31,36).

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

N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 511.51 g/mol, XLogP of 4.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[8-ethyl-5-[6-[2-(trifluoromethyl)morpholin-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]-2,7-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 178122767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).