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

C21H21F3N8 — CID 139343647

IUPAC3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CC(c2cn[nH]c2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C21H21F3N8/c1-12-5-15(14-6-28-29-7-14)13(2)31(10-12)18-3-4-25-20(30-18)16-8-27-19-9-26-17(11-32(16)19)21(22,23)24/h3-4,6-9,11-13,15H,5,10H2,1-2H3,(H,28,29)
InChIKeyJQSKNBUGUUIGLM-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.95
Rot. Bonds3

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

3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343647) has the molecular formula C21H21F3N8 and a molecular weight of 442.45 g/mol. Its IUPAC name is 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139343647
Molecular FormulaC21H21F3N8
Molecular Weight442.45 g/mol
Exact Mass442.18
IUPAC Name3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCC1CC(c2cn[nH]c2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1
InChIInChI=1S/C21H21F3N8/c1-12-5-15(14-6-28-29-7-14)13(2)31(10-12)18-3-4-25-20(30-18)16-8-27-19-9-26-17(11-32(16)19)21(22,23)24/h3-4,6-9,11-13,15H,5,10H2,1-2H3,(H,28,29)
InChIKeyJQSKNBUGUUIGLM-UHFFFAOYSA-N
XLogP3.95
TPSA87.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343647) is 3-[4-[2,5-dimethyl-3-(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-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CC1CC(c2cn[nH]c2)C(C)N(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C1.
What is the InChIKey of 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is JQSKNBUGUUIGLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N8/c1-12-5-15(14-6-28-29-7-14)13(2)31(10-12)18-3-4-25-20(30-18)16-8-27-19-9-26-17(11-32(16)19)21(22,23)24/h3-4,6-9,11-13,15H,5,10H2,1-2H3,(H,28,29).
What are the key properties of 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 442.45 g/mol, XLogP of 3.95, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2,5-dimethyl-3-(1H-pyrazol-4-yl)piperidin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).