N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide

C32H36FN7O4 — CID 86344909

About N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide

N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide (PubChem CID 86344909) has the molecular formula C32H36FN7O4 and a molecular weight of 601.68 g/mol. Its IUPAC name is N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide.

Molecular Properties

• Compound Name: N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
• PubChem CID: 86344909
• Molecular Formula: C32H36FN7O4
• Molecular Weight: 601.68 g/mol
• Exact Mass: 601.28
• IUPAC Name: N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide
• SMILES: CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)cn2n1
• InChI: InChI=1S/C32H36FN7O4/c1-2-44-28-20-23(31(42)39-15-17-43-18-16-39)5-9-27(28)35-32-36-29-10-8-26(21-40(29)37-32)38-13-11-25(12-14-38)34-30(41)19-22-3-6-24(33)7-4-22/h3-10,20-21,25H,2,11-19H2,1H3,(H,34,41)(H,35,37)
• InChIKey: YHTZESMEIOMNNK-UHFFFAOYSA-N
• XLogP: 3.81
• TPSA: 113.33 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	601.68
LogP ≤ 5	3.81
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide?

The IUPAC name of N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide (CID 86344909) is N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide.

What is the SMILES notation for N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide?

The canonical SMILES for N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide is CCOc1cc(C(=O)N2CCOCC2)ccc1Nc1nc2ccc(N3CCC(NC(=O)Cc4ccc(F)cc4)CC3)cn2n1.

What is the InChIKey of N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide?

The InChIKey is YHTZESMEIOMNNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H36FN7O4/c1-2-44-28-20-23(31(42)39-15-17-43-18-16-39)5-9-27(28)35-32-36-29-10-8-26(21-40(29)37-32)38-13-11-25(12-14-38)34-30(41)19-22-3-6-24(33)7-4-22/h3-10,20-21,25H,2,11-19H2,1H3,(H,34,41)(H,35,37).

What are the key properties of N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide?

N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide has a molecular weight of 601.68 g/mol, XLogP of 3.81, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[2-[2-ethoxy-4-(morpholine-4-carbonyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]piperidin-4-yl]-2-(4-fluorophenyl)acetamide is sourced from PubChem (CID 86344909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).