(Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane

C22H28F3N9 — CID 153330909

About (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane

(Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane (PubChem CID 153330909) has the molecular formula C22H28F3N9 and a molecular weight of 475.52 g/mol. Its IUPAC name is (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane.

Molecular Properties

• Compound Name: (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane
• PubChem CID: 153330909
• Molecular Formula: C22H28F3N9
• Molecular Weight: 475.52 g/mol
• Exact Mass: 475.24
• IUPAC Name: (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane
• SMILES: CC.[H]/N=C/C(=C\N)C1NC(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C
• InChI: InChI=1S/C20H22F3N9.C2H6/c1-11-9-31(12(2)18(29-11)13(5-24)6-25)16-3-4-26-19(30-16)14-7-28-17-8-27-15(10-32(14)17)20(21,22)23;1-2/h3-8,10-12,18,24,29H,9,25H2,1-2H3;1-2H3/b13-6+,24-5+
• InChIKey: UHANIFZADDGCSO-CJBYCUOUSA-N
• XLogP: 3.28
• TPSA: 121.11 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.52
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane?

The IUPAC name of (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane (CID 153330909) is (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane.

What is the SMILES notation for (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane?

The canonical SMILES for (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane is CC.[H]/N=C/C(=C\N)C1NC(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C.

What is the InChIKey of (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane?

The InChIKey is UHANIFZADDGCSO-CJBYCUOUSA-N. The full InChI is InChI=1S/C20H22F3N9.C2H6/c1-11-9-31(12(2)18(29-11)13(5-24)6-25)16-3-4-26-19(30-16)14-7-28-17-8-27-15(10-32(14)17)20(21,22)23;1-2/h3-8,10-12,18,24,29H,9,25H2,1-2H3;1-2H3/b13-6+,24-5+;.

What are the key properties of (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane?

(Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane has a molecular weight of 475.52 g/mol, XLogP of 3.28, 4 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (Z)-2-[3,6-dimethyl-4-[2-[6-(trifluoromethyl)imidazo[1,2-a]pyrazin-3-yl]pyrimidin-4-yl]piperazin-2-yl]-3-iminoprop-1-en-1-amine;ethane is sourced from PubChem (CID 153330909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).