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

C22H24F3N9 — CID 139343506

IUPAC3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCCN1C(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C1c1cn[nH]c1
InChIInChI=1S/C22H24F3N9/c1-4-32-13(2)11-33(14(3)20(32)15-7-29-30-8-15)18-5-6-26-21(31-18)16-9-28-19-10-27-17(12-34(16)19)22(23,24)25/h5-10,12-14,20H,4,11H2,1-3H3,(H,29,30)
InChIKeyXKMNBWFKTVWKRW-UHFFFAOYSA-N
MW471.49 g/mol
LogP3.59
Rot. Bonds4

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

3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (PubChem CID 139343506) has the molecular formula C22H24F3N9 and a molecular weight of 471.49 g/mol. Its IUPAC name is 3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine.

Molecular Properties

Compound Name3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
PubChem CID139343506
Molecular FormulaC22H24F3N9
Molecular Weight471.49 g/mol
Exact Mass471.21
IUPAC Name3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine
SMILESCCN1C(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C1c1cn[nH]c1
InChIInChI=1S/C22H24F3N9/c1-4-32-13(2)11-33(14(3)20(32)15-7-29-30-8-15)18-5-6-26-21(31-18)16-9-28-19-10-27-17(12-34(16)19)22(23,24)25/h5-10,12-14,20H,4,11H2,1-3H3,(H,29,30)
InChIKeyXKMNBWFKTVWKRW-UHFFFAOYSA-N
XLogP3.59
TPSA91.13 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.49
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The IUPAC name of 3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine (CID 139343506) is 3-[4-[4-ethyl-2,5-dimethyl-3-(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-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The canonical SMILES for 3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is CCN1C(C)CN(c2ccnc(-c3cnc4cnc(C(F)(F)F)cn34)n2)C(C)C1c1cn[nH]c1.
What is the InChIKey of 3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
The InChIKey is XKMNBWFKTVWKRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24F3N9/c1-4-32-13(2)11-33(14(3)20(32)15-7-29-30-8-15)18-5-6-26-21(31-18)16-9-28-19-10-27-17(12-34(16)19)22(23,24)25/h5-10,12-14,20H,4,11H2,1-3H3,(H,29,30).
What are the key properties of 3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine?
3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine has a molecular weight of 471.49 g/mol, XLogP of 3.59, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[4-ethyl-2,5-dimethyl-3-(1H-pyrazol-4-yl)piperazin-1-yl]pyrimidin-2-yl]-6-(trifluoromethyl)imidazo[1,2-a]pyrazine is sourced from PubChem (CID 139343506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).