(1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

C₂₄H₂₅F₃N₁₀O — CID 155922340

About (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone

(1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 155922340) has the molecular formula C₂₄H₂₅F₃N₁₀O and a molecular weight of 526.53 g/mol. Its IUPAC name is (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 155922340
• Molecular Formula: C₂₄H₂₅F₃N₁₀O
• Molecular Weight: 526.53 g/mol
• Exact Mass: 526.22
• IUPAC Name: (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: Cn1cnc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2CNNC2)c1
• InChI: InChI=1S/C24H25F3N10O/c1-34-12-17(30-14-34)23(38)36-7-6-35(13-19(36)15-8-31-32-9-15)21-4-5-28-22(33-21)18-10-29-20-3-2-16(11-37(18)20)24(25,26)27/h2-5,10-12,14-15,19,31-32H,6-9,13H2,1H3
• InChIKey: XLPZROPPEHKVSX-UHFFFAOYSA-N
• XLogP: 1.60
• TPSA: 108.51 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	526.53
LogP ≤ 5	1.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The IUPAC name of (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 155922340) is (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone.

What is the SMILES notation for (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The canonical SMILES for (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is Cn1cnc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2CNNC2)c1.

What is the InChIKey of (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

The InChIKey is XLPZROPPEHKVSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N10O/c1-34-12-17(30-14-34)23(38)36-7-6-35(13-19(36)15-8-31-32-9-15)21-4-5-28-22(33-21)18-10-29-20-3-2-16(11-37(18)20)24(25,26)27/h2-5,10-12,14-15,19,31-32H,6-9,13H2,1H3.

What are the key properties of (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone?

(1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone has a molecular weight of 526.53 g/mol, XLogP of 1.60, 4 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (1-methylimidazol-4-yl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 155922340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 155922340 — identifiers, structure, computed properties (public domain)

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