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

C20H19F3N8 — CID 139359196

IUPAC3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C20H19F3N8/c1-12-14(7-27-29-12)13-3-2-6-30(10-13)17-4-5-24-19(28-17)15-8-26-18-9-25-16(11-31(15)18)20(21,22)23/h4-5,7-9,11,13H,2-3,6,10H2,1H3,(H,27,29)
InChIKeyXEMFDMBJFMXBNE-UHFFFAOYSA-N
MW428.42 g/mol
LogP3.62
Rot. Bonds3

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

3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139359196) has the molecular formula C20H19F3N8 and a molecular weight of 428.42 g/mol. Its IUPAC name is 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139359196
Molecular FormulaC20H19F3N8
Molecular Weight428.42 g/mol
Exact Mass428.17
IUPAC Name3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C20H19F3N8/c1-12-14(7-27-29-12)13-3-2-6-30(10-13)17-4-5-24-19(28-17)15-8-26-18-9-25-16(11-31(15)18)20(21,22)23/h4-5,7-9,11,13H,2-3,6,10H2,1H3,(H,27,29)
InChIKeyXEMFDMBJFMXBNE-UHFFFAOYSA-N
XLogP3.62
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.42
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139359196) is 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.
What is the SMILES notation for 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is Cc1[nH]ncc1C1CCCN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is XEMFDMBJFMXBNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N8/c1-12-14(7-27-29-12)13-3-2-6-30(10-13)17-4-5-24-19(28-17)15-8-26-18-9-25-16(11-31(15)18)20(21,22)23/h4-5,7-9,11,13H,2-3,6,10H2,1H3,(H,27,29).
What are the key properties of 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 428.42 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[3-(5-methyl-1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139359196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).