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

C20H20F3N9 — CID 139359750

IUPAC3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)N1
InChIInChI=1S/C20H20F3N9/c1-11-8-31(9-14(28-11)13-5-27-30-12(13)2)17-3-4-24-19(29-17)15-6-26-18-7-25-16(10-32(15)18)20(21,22)23/h3-7,10-11,14,28H,8-9H2,1-2H3,(H,27,30)
InChIKeySWIKQXWXXFFQPG-UHFFFAOYSA-N
MW443.44 g/mol
LogP2.78
Rot. Bonds3

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

3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139359750) has the molecular formula C20H20F3N9 and a molecular weight of 443.44 g/mol. Its IUPAC name is 3-[4-[3-methyl-5-(5-methyl-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-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139359750
Molecular FormulaC20H20F3N9
Molecular Weight443.44 g/mol
Exact Mass443.18
IUPAC Name3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)N1
InChIInChI=1S/C20H20F3N9/c1-11-8-31(9-14(28-11)13-5-27-30-12(13)2)17-3-4-24-19(29-17)15-6-26-18-7-25-16(10-32(15)18)20(21,22)23/h3-7,10-11,14,28H,8-9H2,1-2H3,(H,27,30)
InChIKeySWIKQXWXXFFQPG-UHFFFAOYSA-N
XLogP2.78
TPSA99.92 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.44
LogP ≤ 52.78
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-methyl-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-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139359750) is 3-[4-[3-methyl-5-(5-methyl-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-methyl-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-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is Cc1[nH]ncc1C1CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)CC(C)N1.
What is the InChIKey of 3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is SWIKQXWXXFFQPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N9/c1-11-8-31(9-14(28-11)13-5-27-30-12(13)2)17-3-4-24-19(29-17)15-6-26-18-7-25-16(10-32(15)18)20(21,22)23/h3-7,10-11,14,28H,8-9H2,1-2H3,(H,27,30).
What are the key properties of 3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-methyl-5-(5-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 443.44 g/mol, XLogP of 2.78, 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-methyl-1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).