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

C20H17F6N9 — CID 139359200

IUPAC3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2C(F)(F)F)N1
InChIInChI=1S/C20H17F6N9/c1-10-7-34(8-12(31-10)11-4-30-33-17(11)20(24,25)26)15-2-3-27-18(32-15)13-5-29-16-6-28-14(9-35(13)16)19(21,22)23/h2-6,9-10,12,31H,7-8H2,1H3,(H,30,33)
InChIKeyMJTAZZUKOCYQNN-UHFFFAOYSA-N
MW497.41 g/mol
LogP3.49
Rot. Bonds3

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

3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139359200) has the molecular formula C20H17F6N9 and a molecular weight of 497.41 g/mol. Its IUPAC name is 3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139359200
Molecular FormulaC20H17F6N9
Molecular Weight497.41 g/mol
Exact Mass497.15
IUPAC Name3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2C(F)(F)F)N1
InChIInChI=1S/C20H17F6N9/c1-10-7-34(8-12(31-10)11-4-30-33-17(11)20(24,25)26)15-2-3-27-18(32-15)13-5-29-16-6-28-14(9-35(13)16)19(21,22)23/h2-6,9-10,12,31H,7-8H2,1H3,(H,30,33)
InChIKeyMJTAZZUKOCYQNN-UHFFFAOYSA-N
XLogP3.49
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.41
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139359200) is 3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(c2cn[nH]c2C(F)(F)F)N1.
What is the InChIKey of 3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is MJTAZZUKOCYQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17F6N9/c1-10-7-34(8-12(31-10)11-4-30-33-17(11)20(24,25)26)15-2-3-27-18(32-15)13-5-29-16-6-28-14(9-35(13)16)19(21,22)23/h2-6,9-10,12,31H,7-8H2,1H3,(H,30,33).
What are the key properties of 3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 497.41 g/mol, XLogP of 3.49, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-4-yl]piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).