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

C21H22F3N9 — CID 139359111

IUPAC6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1NC(c2cn[nH]c2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C
InChIInChI=1S/C21H22F3N9/c1-11-12(2)33(13(3)19(30-11)14-6-28-29-7-14)17-4-5-25-20(31-17)15-8-27-18-9-26-16(10-32(15)18)21(22,23)24/h4-13,19,30H,1-3H3,(H,28,29)
InChIKeyOVTJMVVSUUUSCW-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.24
Rot. Bonds3

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

6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (PubChem CID 139359111) has the molecular formula C21H22F3N9 and a molecular weight of 457.46 g/mol. Its IUPAC name is 6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
PubChem CID139359111
Molecular FormulaC21H22F3N9
Molecular Weight457.46 g/mol
Exact Mass457.20
IUPAC Name6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine
SMILESCC1NC(c2cn[nH]c2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C
InChIInChI=1S/C21H22F3N9/c1-11-12(2)33(13(3)19(30-11)14-6-28-29-7-14)17-4-5-25-20(31-17)15-8-27-18-9-26-16(10-32(15)18)21(22,23)24/h4-13,19,30H,1-3H3,(H,28,29)
InChIKeyOVTJMVVSUUUSCW-UHFFFAOYSA-N
XLogP3.24
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The IUPAC name of 6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine (CID 139359111) is 6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine.
What is the SMILES notation for 6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The canonical SMILES for 6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is CC1NC(c2cn[nH]c2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1C.
What is the InChIKey of 6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
The InChIKey is OVTJMVVSUUUSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22F3N9/c1-11-12(2)33(13(3)19(30-11)14-6-28-29-7-14)17-4-5-25-20(31-17)15-8-27-18-9-26-16(10-32(15)18)21(22,23)24/h4-13,19,30H,1-3H3,(H,28,29).
What are the key properties of 6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine?
6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine has a molecular weight of 457.46 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(trifluoromethyl)-3-[4-[2,3,6-trimethyl-5-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).