Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate

C₂₂H₂₅F₃N₆O₃ — CID 166009025

About Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate

Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate (PubChem CID 166009025) has the molecular formula C₂₂H₂₅F₃N₆O₃ and a molecular weight of 478.48 g/mol. Its IUPAC name is methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate.

Molecular Properties

• Compound Name: Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate
• PubChem CID: 166009025
• Molecular Formula: C₂₂H₂₅F₃N₆O₃
• Molecular Weight: 478.48 g/mol
• Exact Mass: 478.19
• IUPAC Name: methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate
• SMILES: CCn1nc(C(=O)OC)cc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1
• InChI: InChI=1S/C22H25F3N6O3/c1-3-31-16(11-15(29-31)21(33)34-2)20(32)27-14-9-7-13(8-10-14)26-18-5-4-6-19-28-17(12-30(18)19)22(23,24)25/h4-6,11-14,26H,3,7-10H2,1-2H3,(H,27,32)
• InChIKey: VWKPZZZDRHXCSZ-UHFFFAOYSA-N
• XLogP: 3.51
• TPSA: 102.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	478.48
LogP ≤ 5	3.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate?

The IUPAC name of Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate (CID 166009025) is methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate.

What is the SMILES notation for Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate?

The canonical SMILES for Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate is CCn1nc(C(=O)OC)cc1C(=O)NC1CCC(Nc2cccc3nc(C(F)(F)F)cn23)CC1.

What is the InChIKey of Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate?

The InChIKey is VWKPZZZDRHXCSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N6O3/c1-3-31-16(11-15(29-31)21(33)34-2)20(32)27-14-9-7-13(8-10-14)26-18-5-4-6-19-28-17(12-30(18)19)22(23,24)25/h4-6,11-14,26H,3,7-10H2,1-2H3,(H,27,32).

What are the key properties of Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate?

Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate has a molecular weight of 478.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for Methyl 1-ethyl-5-[[4-[[2-(trifluoromethyl)imidazo[1,2-a]pyridin-5-yl]amino]cyclohexyl]carbamoyl]pyrazole-3-carboxylate is sourced from PubChem (CID 166009025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 166009025 — identifiers, structure, computed properties (public domain)

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