ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate

C25H28F3N5O4 — CID 67389652

About ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate

ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate (PubChem CID 67389652) has the molecular formula C25H28F3N5O4 and a molecular weight of 519.52 g/mol. Its IUPAC name is ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate.

Molecular Properties

• Compound Name: ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate
• PubChem CID: 67389652
• Molecular Formula: C25H28F3N5O4
• Molecular Weight: 519.52 g/mol
• Exact Mass: 519.21
• IUPAC Name: ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate
• SMILES: CCOC(=O)C1CC1Cn1ncc2cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc21
• InChI: InChI=1S/C25H28F3N5O4/c1-3-36-23(35)18-10-16(18)13-33-19-7-6-17(9-15(19)11-29-33)30-22(34)20-21(25(26,27)28)31-24(37-20)32-8-4-5-14(2)12-32/h6-7,9,11,14,16,18H,3-5,8,10,12-13H2,1-2H3,(H,30,34)
• InChIKey: LGKXDSFOQGBERO-UHFFFAOYSA-N
• XLogP: 4.73
• TPSA: 102.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.52
LogP ≤ 5	4.73
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate?

The IUPAC name of ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate (CID 67389652) is ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate.

What is the SMILES notation for ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate?

The canonical SMILES for ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate is CCOC(=O)C1CC1Cn1ncc2cc(NC(=O)c3oc(N4CCCC(C)C4)nc3C(F)(F)F)ccc21.

What is the InChIKey of ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate?

The InChIKey is LGKXDSFOQGBERO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28F3N5O4/c1-3-36-23(35)18-10-16(18)13-33-19-7-6-17(9-15(19)11-29-33)30-22(34)20-21(25(26,27)28)31-24(37-20)32-8-4-5-14(2)12-32/h6-7,9,11,14,16,18H,3-5,8,10,12-13H2,1-2H3,(H,30,34).

What are the key properties of ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate?

ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate has a molecular weight of 519.52 g/mol, XLogP of 4.73, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 67389652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).