6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

C19H14F6N8 — CID 139358679

About 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine

6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139358679) has the molecular formula C19H14F6N8 and a molecular weight of 468.37 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

• Compound Name: 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• PubChem CID: 139358679
• Molecular Formula: C19H14F6N8
• Molecular Weight: 468.37 g/mol
• Exact Mass: 468.12
• IUPAC Name: 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
• SMILES: FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5cn[nH]c5C(F)(F)F)C4)n3)cnc2cn1
• InChI: InChI=1S/C19H14F6N8/c20-18(21,22)13-9-33-12(6-28-15(33)7-27-13)17-26-3-1-14(30-17)32-4-2-10(8-32)11-5-29-31-16(11)19(23,24)25/h1,3,5-7,9-10H,2,4,8H2,(H,29,31)
• InChIKey: WVOHMOPHSSTKEV-UHFFFAOYSA-N
• XLogP: 3.94
• TPSA: 87.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	468.37
LogP ≤ 5	3.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The IUPAC name of 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139358679) is 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

What is the SMILES notation for 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The canonical SMILES for 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is FC(F)(F)c1cn2c(-c3nccc(N4CCC(c5cn[nH]c5C(F)(F)F)C4)n3)cnc2cn1.

What is the InChIKey of 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

The InChIKey is WVOHMOPHSSTKEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F6N8/c20-18(21,22)13-9-33-12(6-28-15(33)7-27-13)17-26-3-1-14(30-17)32-4-2-10(8-32)11-5-29-31-16(11)19(23,24)25/h1,3,5-7,9-10H,2,4,8H2,(H,29,31).

What are the key properties of 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?

6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 468.37 g/mol, XLogP of 3.94, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(trifluoromethyl)-3-[4-[3-[5-(trifluoromethyl)-1H-pyrazol-4-yl]pyrrolidin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139358679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).