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

C26H26F3N9O2 — CID 155922342

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

(2-methoxy-4-pyridinyl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (PubChem CID 155922342) has the molecular formula C26H26F3N9O2 and a molecular weight of 553.55 g/mol. Its IUPAC name is (2-methoxy-4-pyridinyl)-[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: (2-methoxy-4-pyridinyl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• PubChem CID: 155922342
• Molecular Formula: C26H26F3N9O2
• Molecular Weight: 553.55 g/mol
• Exact Mass: 553.22
• IUPAC Name: (2-methoxy-4-pyridinyl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone
• SMILES: COc1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2CNNC2)ccn1
• InChI: InChI=1S/C26H26F3N9O2/c1-40-23-10-16(4-6-30-23)25(39)37-9-8-36(15-20(37)17-11-33-34-12-17)22-5-7-31-24(35-22)19-13-32-21-3-2-18(14-38(19)21)26(27,28)29/h2-7,10,13-14,17,20,33-34H,8-9,11-12,15H2,1H3
• InChIKey: CDMJIRBNSOJAOZ-UHFFFAOYSA-N
• XLogP: 2.27
• TPSA: 112.81 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	553.55
LogP ≤ 5	2.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of (2-methoxy-4-pyridinyl)-[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 (2-methoxy-4-pyridinyl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone (CID 155922342) is (2-methoxy-4-pyridinyl)-[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 (2-methoxy-4-pyridinyl)-[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 (2-methoxy-4-pyridinyl)-[2-pyrazolidin-4-yl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-4-yl]piperazin-1-yl]methanone is COc1cc(C(=O)N2CCN(c3ccnc(-c4cnc5ccc(C(F)(F)F)cn45)n3)CC2C2CNNC2)ccn1.

What is the InChIKey of (2-methoxy-4-pyridinyl)-[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 CDMJIRBNSOJAOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F3N9O2/c1-40-23-10-16(4-6-30-23)25(39)37-9-8-36(15-20(37)17-11-33-34-12-17)22-5-7-31-24(35-22)19-13-32-21-3-2-18(14-38(19)21)26(27,28)29/h2-7,10,13-14,17,20,33-34H,8-9,11-12,15H2,1H3.

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

(2-methoxy-4-pyridinyl)-[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 553.55 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for (2-methoxy-4-pyridinyl)-[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 155922342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).