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

C₂₃H₂₄F₃N₅O₄ — CID 57485450

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

2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid (PubChem CID 57485450) has the molecular formula C₂₃H₂₄F₃N₅O₄ and a molecular weight of 491.47 g/mol. Its IUPAC name is 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

Molecular Properties

• Compound Name: 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid
• PubChem CID: 57485450
• Molecular Formula: C₂₃H₂₄F₃N₅O₄
• Molecular Weight: 491.47 g/mol
• Exact Mass: 491.18
• IUPAC Name: 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid
• SMILES: CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4CC4CC4C(=O)O)c3)o2)C1
• InChI: InChI=1S/C23H24F3N5O4/c1-12-3-2-6-30(10-12)22-29-19(23(24,25)26)18(35-22)20(32)28-15-4-5-17-13(7-15)9-27-31(17)11-14-8-16(14)21(33)34/h4-5,7,9,12,14,16H,2-3,6,8,10-11H2,1H3,(H,28,32)(H,33,34)
• InChIKey: WHNUGGCLQMYTIE-UHFFFAOYSA-N
• XLogP: 4.25
• TPSA: 113.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	491.47
LogP ≤ 5	4.25
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid (CID 57485450) is 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid.

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

The canonical SMILES for 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid is CC1CCCN(c2nc(C(F)(F)F)c(C(=O)Nc3ccc4c(cnn4CC4CC4C(=O)O)c3)o2)C1.

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

The InChIKey is WHNUGGCLQMYTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24F3N5O4/c1-12-3-2-6-30(10-12)22-29-19(23(24,25)26)18(35-22)20(32)28-15-4-5-17-13(7-15)9-27-31(17)11-14-8-16(14)21(33)34/h4-5,7,9,12,14,16H,2-3,6,8,10-11H2,1H3,(H,28,32)(H,33,34).

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

2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid has a molecular weight of 491.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[[5-[[2-(3-methylpiperidin-1-yl)-4-(trifluoromethyl)-1,3-oxazole-5-carbonyl]amino]indazol-1-yl]methyl]cyclopropane-1-carboxylic acid is sourced from PubChem (CID 57485450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 57485450 — identifiers, structure, computed properties (public domain)

How this page is built: methodology · editorial policy & corrections.